General Information of the Compound
| Compound ID |
CP0952084
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| Compound Name |
(5-(4-chloro-3-(1-methyl-1H-benzo[d]imidazol-2-yl)phenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)(4-(3,4-dichlorophenyl)piperazin-1-yl)methanone
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| Structure |
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| Formula |
C32H28Cl3N5OS
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| Molecular Weight |
637.036
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| Canonical SMILES |
Cn1c(-c2cc(N3CCc4sc(C(=O)N5CCN(c6ccc(Cl)c(Cl)c6)CC5)cc4C3)ccc2Cl)nc2ccccc21
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| InChI |
InChI=1S/C32H28Cl3N5OS/c1-37-28-5-3-2-4-27(28)36-31(37)23-17-21(6-8-24(23)33)40-11-10-29-20(19-40)16-30(42-29)32(41)39-14-12-38(13-15-39)22-7-9-25(34)26(35)18-22/h2-9,16-18H,10-15,19H2,1H3
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| InChIKey |
FYRPXOUPLPSIOT-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