General Information of the Compound
| Compound ID |
CP0505655
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| Compound Name |
6-(4-chlorophenyl)-3-[1-(3-hydroxypropyl)-2-methylbenzimidazol-5-yl]thieno[3,2-d]pyrimidin-4-one
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| Structure |
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| Formula |
C23H19ClN4O2S
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| Molecular Weight |
450.951
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| Canonical SMILES |
Cc1nc2cc(ccc2n1CCCO)-n1cnc2cc(sc2c1=O)-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C23H19ClN4O2S/c1-14-26-18-11-17(7-8-20(18)27(14)9-2-10-29)28-13-25-19-12-21(31-22(19)23(28)30)15-3-5-16(24)6-4-15/h3-8,11-13,29H,2,9-10H2,1H3
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| InChIKey |
UIVSQWLEEUYWIU-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