General Information of the Compound
| Compound ID |
CP0552727
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| Compound Name |
2-butoxy-3-(4-methylpiperazin-1-yl)-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile
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| Structure |
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| Formula |
C28H33N5O2
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| Molecular Weight |
471.605
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| Canonical SMILES |
CCCCOc1cc2c(cc1N1CCN(C)CC1)n(C(C)C)c1[nH]c3cc(ccc3c1c2=O)C#N
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| InChI |
InChI=1S/C28H33N5O2/c1-5-6-13-35-25-15-21-23(16-24(25)32-11-9-31(4)10-12-32)33(18(2)3)28-26(27(21)34)20-8-7-19(17-29)14-22(20)30-28/h7-8,14-16,18,30H,5-6,9-13H2,1-4H3
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| InChIKey |
XTVRYXGMEVTHJF-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