General Information of the Compound
| Compound ID |
CP0235358
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| Compound Name |
4-[4-(2,3-dimethylphenyl)piperazin-1-yl]carbonyl-2,9-dimethyl-pyrido[3,4-b]indol-1-one
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| Structure |
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| Formula |
C26H28N4O2
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| Molecular Weight |
428.536
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| Canonical SMILES |
Cc1cccc(N2CCN(CC2)C(=O)c2cn(C)c(=O)c3n(C)c4ccccc4c23)c1C
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| InChI |
InChI=1S/C26H28N4O2/c1-17-8-7-11-21(18(17)2)29-12-14-30(15-13-29)25(31)20-16-27(3)26(32)24-23(20)19-9-5-6-10-22(19)28(24)4/h5-11,16H,12-15H2,1-4H3
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| InChIKey |
VOLRZXVSMCYQJB-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
Protein ID: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06172, Mothers against decapentaplegic homolog 3