General Information of the Compound
| Compound ID |
CP0386528
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| Compound Name |
6-(4-chlorophenyl)-3-[1-methyl-2-(pyrrolidin-1-ylmethyl)-1Hindol-5-yl]thieno[3,2-d]pyrimidin-4(3H)-one
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| Structure |
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| Formula |
C26H23ClN4OS
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| Molecular Weight |
475.017
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| Canonical SMILES |
Cn1c(CN2CCCC2)cc2cc(ccc12)-n1cnc2cc(sc2c1=O)-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C26H23ClN4OS/c1-29-21(15-30-10-2-3-11-30)13-18-12-20(8-9-23(18)29)31-16-28-22-14-24(33-25(22)26(31)32)17-4-6-19(27)7-5-17/h4-9,12-14,16H,2-3,10-11,15H2,1H3
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| InChIKey |
MIYQNLFTRRTMNL-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