General Information of the Compound
| Compound ID |
CP0967784
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| Compound Name |
(5-(3-(1-methyl-1H-benzo[d]imidazol-2-yl)phenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)(4-(methylsulfonyl)piperazin-1-yl)methanone
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| Structure |
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| Formula |
C27H29N5O3S2
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| Molecular Weight |
535.695
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| Canonical SMILES |
Cn1c(-c2cccc(N3CCc4sc(C(=O)N5CCN(S(C)(=O)=O)CC5)cc4C3)c2)nc2ccccc21
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| InChI |
InChI=1S/C27H29N5O3S2/c1-29-23-9-4-3-8-22(23)28-26(29)19-6-5-7-21(16-19)31-11-10-24-20(18-31)17-25(36-24)27(33)30-12-14-32(15-13-30)37(2,34)35/h3-9,16-17H,10-15,18H2,1-2H3
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| InChIKey |
NFRRFWAXPDEAAT-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