General Information of the Compound
| Compound ID |
CP0392591
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| Compound Name |
4-[4-(2,6-dimethylmorpholine-4-carbonyl)anilino]-2-[(3S)-3-(prop-2-enoylamino)pyrrolidin-1-yl]pyrimidine-5-carboxamide
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| Structure |
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| Formula |
C25H31N7O4
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| Molecular Weight |
493.568
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| Canonical SMILES |
CC1CN(CC(C)O1)C(=O)c1ccc(Nc2nc(ncc2C(N)=O)N2CC[C@@H](C2)NC(=O)C=C)cc1
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| InChI |
InChI=1S/C25H31N7O4/c1-4-21(33)28-19-9-10-31(14-19)25-27-11-20(22(26)34)23(30-25)29-18-7-5-17(6-8-18)24(35)32-12-15(2)36-16(3)13-32/h4-8,11,15-16,19H,1,9-10,12-14H2,2-3H3,(H2,26,34)(H,28,33)(H,27,29,30)/t15?,16?,19-/m0/s1
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| InChIKey |
LEVFSNASLBAQKJ-RJYAGPCLSA-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