General Information of the Compound
| Compound ID |
CP0564089
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| Compound Name |
3-(4-methylpiperazin-1-yl)-2-(2-methylpropyl)-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile
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| Structure |
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| Formula |
C28H33N5O
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| Molecular Weight |
455.606
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| Canonical SMILES |
CC(C)Cc1cc2c(cc1N1CCN(C)CC1)n(C(C)C)c1[nH]c3cc(ccc3c1c2=O)C#N
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| InChI |
InChI=1S/C28H33N5O/c1-17(2)12-20-14-22-25(15-24(20)32-10-8-31(5)9-11-32)33(18(3)4)28-26(27(22)34)21-7-6-19(16-29)13-23(21)30-28/h6-7,13-15,17-18,30H,8-12H2,1-5H3
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| InChIKey |
PBOJHYMQYDDQOP-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