General Information of the Compound
| Compound ID |
CP0967785
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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-(pyrimidin-2-yl)piperazin-1-yl)methanone
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| Structure |
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| Formula |
C30H28ClN7OS
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| Molecular Weight |
570.122
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| Canonical SMILES |
Cn1c(-c2cc(N3CCc4sc(C(=O)N5CCN(c6ncccn6)CC5)cc4C3)ccc2Cl)nc2ccccc21
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| InChI |
InChI=1S/C30H28ClN7OS/c1-35-25-6-3-2-5-24(25)34-28(35)22-18-21(7-8-23(22)31)38-12-9-26-20(19-38)17-27(40-26)29(39)36-13-15-37(16-14-36)30-32-10-4-11-33-30/h2-8,10-11,17-18H,9,12-16,19H2,1H3
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| InChIKey |
QCVBGUMHHARGJQ-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