2216 -OEChem-10051719263D 25 26 0 0 0 0 0 0 0999 V2000 -0.3465 2.7266 0.5514 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.3576 -2.7322 0.5464 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.1993 -0.0036 0.8219 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8774 -0.0053 0.9521 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0476 0.0020 -1.1336 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4587 0.0060 -0.8002 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2756 0.0028 -0.1212 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5082 0.0029 -1.4495 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9987 -0.0027 0.1771 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4515 -0.0022 0.5143 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1289 1.2072 0.2947 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1321 -1.2088 0.2893 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1190 0.0035 -0.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4546 1.2100 -0.1393 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4580 -1.2060 -0.1446 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9032 -0.8874 -0.0197 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8956 0.8978 -0.0155 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7520 0.8903 -2.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7525 -0.8842 -2.0434 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3316 -0.0051 1.8256 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9847 -0.0120 1.9618 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9736 2.1511 -0.3084 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9801 -2.1449 -0.3168 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9419 -0.8685 -0.9565 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9399 0.8823 -0.9527 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 2 12 1 0 0 0 0 3 7 1 0 0 0 0 3 9 1 0 0 0 0 3 20 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 4 21 1 0 0 0 0 5 8 1 0 0 0 0 5 9 2 0 0 0 0 6 13 1 0 0 0 0 6 24 1 0 0 0 0 6 25 1 0 0 0 0 7 8 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 11 14 1 0 0 0 0 12 15 2 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 14 22 1 0 0 0 0 15 23 1 0 0 0 0 M END > DB00964 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/IEJXVRYNEISIKR-UHFFFAOYSA-N/SDF?record_type=3d > NC1=CC(Cl)=C(NC2=NCCN2)C(Cl)=C1 > InChI=1S/C9H10Cl2N4/c10-6-3-5(12)4-7(11)8(6)15-9-13-1-2-14-9/h3-4H,1-2,12H2,(H2,13,14,15) > IEJXVRYNEISIKR-UHFFFAOYSA-N > C9H10Cl2N4 > 245.109 > 244.028251754 > 4 > 25 > 0.9681980507131182 > 23.272307623479737 > 1 > 3 > 0 > 1 > 2,6-dichloro-N1-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,4-diamine > 2.14 > 1.6561627496666667 > -2.78 > 0 > 1 > 2 > 1 > 8.478662277748036 > 62.44 > 63.78920000000001 > 1 > 1 > 4.09e-01 g/l > tetrahydrofolic acid > 0 $$$$