General Information of the Compound
| Compound ID |
CP0767889
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| Compound Name |
2-(4-(1-acryloyl-1,2,3,6-tetrahydropyridin-4-yl)phenyl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-methylbutanamide
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| Structure |
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| Formula |
C25H30N4O2
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| Molecular Weight |
418.541
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| Canonical SMILES |
C=CC(=O)N1CC=C(c2ccc(C(C(=O)Nc3cc(C4CC4)[nH]n3)C(C)C)cc2)CC1
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| InChI |
InChI=1S/C25H30N4O2/c1-4-23(30)29-13-11-18(12-14-29)17-5-9-20(10-6-17)24(16(2)3)25(31)26-22-15-21(27-28-22)19-7-8-19/h4-6,9-11,15-16,19,24H,1,7-8,12-14H2,2-3H3,(H2,26,27,28,31)
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| InChIKey |
YDOXNEJDOWIWSE-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