General Information of the Compound
| Compound ID |
CP0968344
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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-methylpiperazin-1-yl)methanone
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| Structure |
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| Formula |
C27H28ClN5OS
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| Molecular Weight |
506.075
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| Canonical SMILES |
CN1CCN(C(=O)c2cc3c(s2)CCN(c2ccc(Cl)c(-c4nc5ccccc5n4C)c2)C3)CC1
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| InChI |
InChI=1S/C27H28ClN5OS/c1-30-11-13-32(14-12-30)27(34)25-15-18-17-33(10-9-24(18)35-25)19-7-8-21(28)20(16-19)26-29-22-5-3-4-6-23(22)31(26)2/h3-8,15-16H,9-14,17H2,1-2H3
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| InChIKey |
FMPVKBVJYLSHDT-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