General Information of the Compound
| Compound ID |
CP0897580
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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-hydroxypiperazin-1-yl)methanone
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| Structure |
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| Formula |
C27H27ClN4O2S
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| Molecular Weight |
507.059
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| Canonical SMILES |
Cn1c(-c2cc(N3CCc4sc(C(=O)N5CCC(O)CC5)cc4C3)ccc2Cl)nc2ccccc21
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| InChI |
InChI=1S/C27H27ClN4O2S/c1-30-23-5-3-2-4-22(23)29-26(30)20-15-18(6-7-21(20)28)32-13-10-24-17(16-32)14-25(35-24)27(34)31-11-8-19(33)9-12-31/h2-7,14-15,19,33H,8-13,16H2,1H3
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| InChIKey |
XEAJQRWZHAWYBL-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