General Information of the Compound
| Compound ID |
CP0435488
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| Compound Name |
1-(2,5-dimethyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-7-yl)-4-(4-fluorophenyl)pyridin-2(1H)-one
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| Structure |
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| Formula |
C24H22FN3O
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| Molecular Weight |
387.458
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| Canonical SMILES |
CN1CCc2c(C1)c1ccc(cc1n2C)-n1ccc(cc1=O)-c1ccc(F)cc1
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| InChI |
InChI=1S/C24H22FN3O/c1-26-11-10-22-21(15-26)20-8-7-19(14-23(20)27(22)2)28-12-9-17(13-24(28)29)16-3-5-18(25)6-4-16/h3-9,12-14H,10-11,15H2,1-2H3
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| InChIKey |
PLNWLTBZTOTUTI-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