General Information of the Compound
| Compound ID |
CP0501118
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| Compound Name |
6-(4-chlorophenyl)-3-[2-(4-methylpiperazin-1-yl)-3H-benzimidazol-5-yl]thieno[3,2-d]pyrimidin-4-one
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| Structure |
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| Formula |
C24H21ClN6OS
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| Molecular Weight |
476.993
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| Canonical SMILES |
CN1CCN(CC1)c1nc2ccc(cc2[nH]1)-n1cnc2cc(sc2c1=O)-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C24H21ClN6OS/c1-29-8-10-30(11-9-29)24-27-18-7-6-17(12-19(18)28-24)31-14-26-20-13-21(33-22(20)23(31)32)15-2-4-16(25)5-3-15/h2-7,12-14H,8-11H2,1H3,(H,27,28)
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| InChIKey |
RHHYVOUXHADFMO-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