2678 -OEChem-10051719123D 52 54 0 1 0 0 0 0 0999 V2000 -6.1023 3.8582 0.7111 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.7020 0.5466 0.1381 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0535 -0.6711 -0.2041 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2259 1.0655 1.0153 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7164 -0.0114 -0.1012 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0573 0.7615 -0.3614 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3377 1.3632 -0.4505 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2971 -0.9592 -0.5805 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0433 1.7092 0.1171 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6785 -0.6137 -0.0141 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0329 -0.3409 -0.6435 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3732 1.0908 0.1829 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0639 0.7240 -0.2996 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5004 -1.7336 -0.2471 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4401 0.1806 -0.4046 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7880 0.5994 0.8685 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2448 1.7824 -1.1667 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3313 -2.4274 -1.1032 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0792 -2.2617 0.9564 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7338 1.5751 1.1832 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1906 2.7583 -0.8520 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7597 -3.7043 -0.7401 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5077 -3.5386 1.3194 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9351 2.6546 0.3231 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3479 -4.2598 0.4711 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7433 -0.2839 -0.3575 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0575 0.1362 0.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0055 2.1006 0.0049 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3296 1.5154 -1.5381 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0958 -1.9951 -0.2946 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3473 -0.9445 -1.6789 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3043 2.7248 -0.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0013 1.7150 1.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6831 -0.7641 1.0739 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3621 -1.3445 -0.4554 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9469 -0.3571 -1.7424 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6351 2.1283 -0.0625 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3896 1.0262 1.2792 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2761 -0.8682 -0.1431 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4690 0.2775 -1.4967 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6489 -0.2075 1.5777 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6847 1.8689 -2.0928 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6585 -2.0026 -2.0474 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4484 -1.7181 1.6531 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3034 1.4845 2.1046 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3391 3.5921 -1.5334 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4147 -4.2656 -1.4001 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1925 -3.9690 2.2655 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6827 -5.2534 0.7546 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8076 -0.1833 -1.4461 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5503 -1.3242 -0.0744 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9240 -0.4190 0.1715 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 2 15 1 0 0 0 0 2 26 1 0 0 0 0 3 27 1 0 0 0 0 3 52 1 0 0 0 0 4 27 2 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 11 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 6 12 1 0 0 0 0 7 9 1 0 0 0 0 7 28 1 0 0 0 0 7 29 1 0 0 0 0 8 10 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 11 36 1 0 0 0 0 12 15 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 16 2 0 0 0 0 13 17 1 0 0 0 0 14 18 2 0 0 0 0 14 19 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 20 1 0 0 0 0 16 41 1 0 0 0 0 17 21 2 0 0 0 0 17 42 1 0 0 0 0 18 22 1 0 0 0 0 18 43 1 0 0 0 0 19 23 2 0 0 0 0 19 44 1 0 0 0 0 20 24 2 0 0 0 0 20 45 1 0 0 0 0 21 24 1 0 0 0 0 21 46 1 0 0 0 0 22 25 2 0 0 0 0 22 47 1 0 0 0 0 23 25 1 0 0 0 0 23 48 1 0 0 0 0 25 49 1 0 0 0 0 26 27 1 0 0 0 0 26 50 1 0 0 0 0 26 51 1 0 0 0 0 M END > DB00341 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/ZKLPARSLTMPFCP-UHFFFAOYSA-N/SDF?record_type=3d > OC(=O)COCCN1CCN(CC1)C(C1=CC=CC=C1)C1=CC=C(Cl)C=C1 > InChI=1S/C21H25ClN2O3/c22-19-8-6-18(7-9-19)21(17-4-2-1-3-5-17)24-12-10-23(11-13-24)14-15-27-16-20(25)26/h1-9,21H,10-16H2,(H,25,26) > ZKLPARSLTMPFCP-UHFFFAOYSA-N > C21H25ClN2O3 > 388.888 > 388.155370383 > 5 > 52 > -0.3490058871294235 > 41.843174104923534 > 1 > 1 > 0 > 1 > 2-(2-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethoxy)acetic acid > 2.98 > 0.8736928308508122 > -3.77 > 1 > 0 > 3 > 0 > 3.5903792955023697 > 7.420029873530933 > 53.010000000000005 > 106.86650000000003 > 8 > 1 > 6.58e-02 g/l > tetrahydrofolic acid > 0 $$$$