General Information of the Compound
| Compound ID |
CP0552254
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| Compound Name |
2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]anilino]-5-fluoro-6-[(3S)-3-(prop-2-enoylamino)pyrrolidin-1-yl]pyridine-3-carboxamide
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| Structure |
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| Formula |
C25H31FN6O3
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| Molecular Weight |
482.56
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| Canonical SMILES |
C[C@H]1CN(C[C@@H](C)O1)c1ccc(Nc2nc(N3CC[C@@H](C3)NC(=O)C=C)c(F)cc2C(N)=O)cc1
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| InChI |
InChI=1S/C25H31FN6O3/c1-4-22(33)28-18-9-10-31(14-18)25-21(26)11-20(23(27)34)24(30-25)29-17-5-7-19(8-6-17)32-12-15(2)35-16(3)13-32/h4-8,11,15-16,18H,1,9-10,12-14H2,2-3H3,(H2,27,34)(H,28,33)(H,29,30)/t15-,16+,18-/m0/s1
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| InChIKey |
UMZLBMHXTFHHHS-JZXOWHBKSA-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