General Information of the Compound
| Compound ID |
CP0528708
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| Compound Name |
1-(9-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-7-yl)-4-(4-(methylthio)phenyl)pyridin-2(1H)-one
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| Structure |
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| Formula |
C24H23N3OS
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| Molecular Weight |
401.535
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| Canonical SMILES |
CSc1ccc(cc1)-c1ccn(-c2ccc3c4CCNCc4n(C)c3c2)c(=O)c1
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| InChI |
InChI=1S/C24H23N3OS/c1-26-22-14-18(5-8-20(22)21-9-11-25-15-23(21)26)27-12-10-17(13-24(27)28)16-3-6-19(29-2)7-4-16/h3-8,10,12-14,25H,9,11,15H2,1-2H3
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| InChIKey |
RNRYYZPHSMBCQQ-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