11538455 -OEChem-10051722563D 55 58 0 0 0 0 0 0 0999 V2000 8.7747 -0.3899 -0.5426 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6840 2.1361 -0.3786 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5251 -0.6509 0.1610 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6353 -0.6799 0.6238 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.2379 1.7964 0.7390 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2236 0.8756 -0.4336 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7766 -1.3263 0.3744 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3159 1.8512 -0.2604 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2870 -1.3249 0.3043 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2113 0.1060 0.5301 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8011 -2.3172 0.7274 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5303 0.3653 -0.1976 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1151 -2.0518 -0.0057 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5821 -1.5778 1.0721 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8699 -0.9126 1.3624 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8876 -0.3578 0.0288 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9465 0.0293 0.8997 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8618 -0.2192 -0.1402 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1841 1.2600 1.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6721 0.9150 -0.2254 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0964 -1.2885 -1.0274 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7095 1.0339 -1.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8014 3.1040 0.9978 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5446 1.1257 -0.5461 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0807 -1.0087 0.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5279 0.2131 -0.2228 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1306 -1.1837 -1.9646 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9236 -0.0394 -2.0267 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9395 0.5172 -0.3582 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4781 -1.4643 -0.7692 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5247 0.8395 0.1815 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3542 0.2822 1.6046 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9704 -2.2422 1.8096 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4749 -3.3442 0.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3739 0.3609 -1.2834 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8657 1.3701 0.0865 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8557 -2.7520 0.3975 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0050 -2.2736 -1.0745 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4041 -1.4416 2.1464 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8918 -2.6196 0.9207 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7985 -0.8220 -0.3731 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2096 -1.9479 1.2349 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7033 -0.7579 2.4363 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7013 1.8028 2.2309 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4871 -2.1871 -0.9937 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3304 1.9219 -1.2107 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7064 3.7060 0.0905 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2591 3.5822 1.8175 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8518 2.9786 1.2725 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7681 2.1130 -0.9361 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7681 -1.7989 0.5227 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3160 -2.0051 -2.6516 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7213 0.0207 -2.7626 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7019 2.6497 -0.1499 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9241 2.2132 0.5604 H 0 0 0 0 0 0 0 0 0 0 0 0 1 29 2 0 0 0 0 2 8 1 0 0 0 0 2 55 1 0 0 0 0 3 12 1 0 0 0 0 3 13 1 0 0 0 0 3 16 1 0 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 4 41 1 0 0 0 0 5 19 1 0 0 0 0 5 20 1 0 0 0 0 5 23 1 0 0 0 0 6 16 2 0 0 0 0 6 24 1 0 0 0 0 7 16 1 0 0 0 0 7 25 2 0 0 0 0 8 29 1 0 0 0 0 8 54 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 14 1 0 0 0 0 9 30 1 0 0 0 0 10 12 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 13 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 17 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 17 18 1 0 0 0 0 17 19 2 0 0 0 0 18 20 1 0 0 0 0 18 21 2 0 0 0 0 19 44 1 0 0 0 0 20 22 2 0 0 0 0 21 27 1 0 0 0 0 21 45 1 0 0 0 0 22 28 1 0 0 0 0 22 46 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 24 26 2 0 0 0 0 24 50 1 0 0 0 0 25 26 1 0 0 0 0 25 51 1 0 0 0 0 26 29 1 0 0 0 0 27 28 2 0 0 0 0 27 52 1 0 0 0 0 28 53 1 0 0 0 0 M END > DB12985 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/PAWIYAYFNXQGAP-UHFFFAOYSA-N/SDF?record_type=3d > CN1C=C(CNCC2CCN(CC2)C2=NC=C(C=N2)C(=O)NO)C2=CC=CC=C12 > InChI=1S/C21H26N6O2/c1-26-14-17(18-4-2-3-5-19(18)26)11-22-10-15-6-8-27(9-7-15)21-23-12-16(13-24-21)20(28)25-29/h2-5,12-15,22,29H,6-11H2,1H3,(H,25,28) > PAWIYAYFNXQGAP-UHFFFAOYSA-N > C21H26N6O2 > 394.479 > 394.211724101 > 6 > 55 > 42.83243915943842 > 1 > 3 > 0 > 1 > N-hydroxy-2-[4-({[(1-methyl-1H-indol-3-yl)methyl]amino}methyl)piperidin-1-yl]pyrimidine-5-carboxamide > 2.04 > 0.8955711365938226 > -3.74 > 1 > 4 > 1 > 18.298916347636748 > 9.165314527922288 > 10.05770346466757 > 95.31 > 113.51009999999997 > 6 > 1 > 7.16e-02 g/l > N-hydroxy-2-[4-({[(1-methylindol-3-yl)methyl]amino}methyl)piperidin-1-yl]pyrimidine-5-carboxamide > 0 $$$$