General Information of the Compound
| Compound ID |
CP0952083
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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-methylpiperazin-1-yl)methanone
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| Structure |
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| Formula |
C27H29N5OS
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| Molecular Weight |
471.63
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| Canonical SMILES |
CN1CCN(C(=O)c2cc3c(s2)CCN(c2cccc(-c4nc5ccccc5n4C)c2)C3)CC1
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| InChI |
InChI=1S/C27H29N5OS/c1-29-12-14-31(15-13-29)27(33)25-17-20-18-32(11-10-24(20)34-25)21-7-5-6-19(16-21)26-28-22-8-3-4-9-23(22)30(26)2/h3-9,16-17H,10-15,18H2,1-2H3
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| InChIKey |
ALFQWXZWABZKMA-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