General Information of the Compound
| Compound ID |
CP0968342
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| Compound Name |
(4-(3,4-dichlorophenyl)piperazin-1-yl)(5-(3-(1-methyl-1H-benzo[d]imidazol-2-yl)phenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)methanone
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| Structure |
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| Formula |
C32H29Cl2N5OS
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| Molecular Weight |
602.591
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| Canonical SMILES |
Cn1c(-c2cccc(N3CCc4sc(C(=O)N5CCN(c6ccc(Cl)c(Cl)c6)CC5)cc4C3)c2)nc2ccccc21
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| InChI |
InChI=1S/C32H29Cl2N5OS/c1-36-28-8-3-2-7-27(28)35-31(36)21-5-4-6-23(17-21)39-12-11-29-22(20-39)18-30(41-29)32(40)38-15-13-37(14-16-38)24-9-10-25(33)26(34)19-24/h2-10,17-19H,11-16,20H2,1H3
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| InChIKey |
WWQFPNVPAUTHDL-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound