General Information of the Compound
| Compound ID |
CP0464330
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| Compound Name |
6-(4-chlorophenyl)-3-[2-(propan-2-ylamino)-3H-benzimidazol-5-yl]thieno[3,2-d]pyrimidin-4-one
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| Structure |
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| Formula |
C22H18ClN5OS
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| Molecular Weight |
435.94
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| Canonical SMILES |
CC(C)Nc1nc2ccc(cc2[nH]1)-n1cnc2cc(sc2c1=O)-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C22H18ClN5OS/c1-12(2)25-22-26-16-8-7-15(9-17(16)27-22)28-11-24-18-10-19(30-20(18)21(28)29)13-3-5-14(23)6-4-13/h3-12H,1-2H3,(H2,25,26,27)
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| InChIKey |
JVDKBJMEHYWUSI-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