General Information of the Compound
| Compound ID |
CP0503386
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| Compound Name |
6-(4-chlorophenyl)-3-[2-(dimethylamino)-1-(4-methoxyphenyl)benzimidazol-5-yl]thieno[3,2-d]pyrimidin-4-one
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| Structure |
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| Formula |
C28H22ClN5O2S
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| Molecular Weight |
528.037
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| Canonical SMILES |
COc1ccc(cc1)-n1c(nc2cc(ccc12)-n1cnc2cc(sc2c1=O)-c1ccc(Cl)cc1)N(C)C
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| InChI |
InChI=1S/C28H22ClN5O2S/c1-32(2)28-31-22-14-20(10-13-24(22)34(28)19-8-11-21(36-3)12-9-19)33-16-30-23-15-25(37-26(23)27(33)35)17-4-6-18(29)7-5-17/h4-16H,1-3H3
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| InChIKey |
NNZNBACALDNMRJ-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