General Information of the Compound
| Compound ID |
CP0116671
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| Compound Name |
2-(2,2-dimethylpropylamino)-4-(2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydro-1H-pyrido[3,4-b]indol-9-yl)benzamide
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| Structure |
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| Formula |
C26H36N4O2
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| Molecular Weight |
436.6
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| Canonical SMILES |
CN1CCc2c(C1)n(c1CC(C)(C)CC(=O)c21)-c1ccc(C(N)=O)c(NCC(C)(C)C)c1
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| InChI |
InChI=1S/C26H36N4O2/c1-25(2,3)15-28-19-11-16(7-8-17(19)24(27)32)30-20-12-26(4,5)13-22(31)23(20)18-9-10-29(6)14-21(18)30/h7-8,11,28H,9-10,12-15H2,1-6H3,(H2,27,32)
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| InChIKey |
CMUOQACBLLCUQL-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