General Information of the Compound
| Compound ID |
CP0550303
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| Compound Name |
2,4-difluoro-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 |
C24H23F2N5O
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| Molecular Weight |
435.478
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| Canonical SMILES |
CC(C)n1c2[nH]c3cc(ccc3c2c(=O)c2cc(F)c(N3CCN(C)CC3)c(F)c12)C#N
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| InChI |
InChI=1S/C24H23F2N5O/c1-13(2)31-21-16(11-17(25)22(20(21)26)30-8-6-29(3)7-9-30)23(32)19-15-5-4-14(12-27)10-18(15)28-24(19)31/h4-5,10-11,13,28H,6-9H2,1-3H3
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| InChIKey |
SZUXODKNQVFHOH-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