General Information of the Compound
| Compound ID |
CP0169800
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| Compound Name |
2-chloro-3-(2-cyanopropan-2-yloxy)-N-[5-[[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]amino]-2-fluorophenyl]benzamide
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| Structure |
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| Formula |
C27H22ClFN6O3S
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| Molecular Weight |
565.03
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| Canonical SMILES |
CC(C)(Oc1cccc(C(=O)Nc2cc(Nc3ccc4nc(NC(=O)C5CC5)sc4n3)ccc2F)c1Cl)C#N
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| InChI |
InChI=1S/C27H22ClFN6O3S/c1-27(2,13-30)38-20-5-3-4-16(22(20)28)24(37)32-19-12-15(8-9-17(19)29)31-21-11-10-18-25(34-21)39-26(33-18)35-23(36)14-6-7-14/h3-5,8-12,14H,6-7H2,1-2H3,(H,31,34)(H,32,37)(H,33,35,36)
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| InChIKey |
NRRFEKCUWINCSH-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