General Information of the Compound
| Compound ID |
CP0955650
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| Compound Name |
3-(cis-3,5-Dimethylpiperazin-1-yl)-4-fluoro-5-isopropyl-2-methoxy-11-oxo-6,11-dihydro-5H-indolo[2,3-b]quinoline-8-carbonitrile
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| Structure |
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| Formula |
C26H28FN5O2
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| Molecular Weight |
461.541
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| Canonical SMILES |
COc1cc2c(=O)c3c4ccc(C#N)cc4[nH]c3n(C(C)C)c2c(F)c1N1C[C@@H](C)N[C@@H](C)C1
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| InChI |
InChI=1S/C26H28FN5O2/c1-13(2)32-23-18(25(33)21-17-7-6-16(10-28)8-19(17)30-26(21)32)9-20(34-5)24(22(23)27)31-11-14(3)29-15(4)12-31/h6-9,13-15,29-30H,11-12H2,1-5H3/t14-,15+
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| InChIKey |
YNADIKCPGVQLOJ-GASCZTMLSA-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