General Information of the Compound
| Compound ID |
CP0061045
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| Compound Name |
(E)-4-Dimethylamino-but-2-enoic acid [4-(3-chloro-4-fluoro-phenylamino)-3-cyano-7-methoxy-quinolin-6-yl]-amide
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| Structure |
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| Formula |
C23H21ClFN5O2
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| Molecular Weight |
453.905
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| Canonical SMILES |
COc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
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| InChI |
InChI=1S/C23H21ClFN5O2/c1-30(2)8-4-5-22(31)29-20-10-16-19(11-21(20)32-3)27-13-14(12-26)23(16)28-15-6-7-18(25)17(24)9-15/h4-7,9-11,13H,8H2,1-3H3,(H,27,28)(H,29,31)/b5-4+
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| InChIKey |
OEDJWFCIVDMVRU-SNAWJCMRSA-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