General Information of the Compound
| Compound ID |
CP0964612
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| Compound Name |
2-Methoxy-3-(4-methylpiperazin-1-yl)-11-oxo-5-(pentan-2-yl)-6,11-dihydro-5H-indolo[2,3-b]quinoline-8-carbonitrile
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| Structure |
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| Formula |
C27H31N5O2
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| Molecular Weight |
457.578
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| Canonical SMILES |
CCCC(C)n1c2cc(N3CCN(C)CC3)c(OC)cc2c(=O)c2c3ccc(C#N)cc3[nH]c21
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| InChI |
InChI=1S/C27H31N5O2/c1-5-6-17(2)32-22-15-23(31-11-9-30(3)10-12-31)24(34-4)14-20(22)26(33)25-19-8-7-18(16-28)13-21(19)29-27(25)32/h7-8,13-15,17,29H,5-6,9-12H2,1-4H3
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| InChIKey |
BVUHUOSWVJZOAY-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