General Information of the Compound
| Compound ID |
CP0571386
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| Compound Name |
3-(4-methylpiperazin-1-yl)-11-oxo-5-propan-2-yl-2-propan-2-yloxy-6H-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 |
CC(C)Oc1cc2c(cc1N1CCN(C)CC1)n(C(C)C)c1[nH]c3cc(ccc3c1c2=O)C#N
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| InChI |
InChI=1S/C27H31N5O2/c1-16(2)32-22-14-23(31-10-8-30(5)9-11-31)24(34-17(3)4)13-20(22)26(33)25-19-7-6-18(15-28)12-21(19)29-27(25)32/h6-7,12-14,16-17,29H,8-11H2,1-5H3
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| InChIKey |
YBKCBFXKFOVNOR-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