General Information of the Compound
| Compound ID |
CP0011880
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| Compound Name |
(E)-3-[4-(1-cyclopropylpyrazol-4-yl)pyridin-3-yl]-N-[4-[(3,3-difluoroazetidin-1-yl)methyl]phenyl]prop-2-enamide
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| Structure |
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| Formula |
C24H23F2N5O
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| Molecular Weight |
435.478
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| Canonical SMILES |
FC1(F)CN(Cc2ccc(NC(=O)\C=C\c3cnccc3-c3cnn(c3)C3CC3)cc2)C1
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| InChI |
InChI=1S/C24H23F2N5O/c25-24(26)15-30(16-24)13-17-1-4-20(5-2-17)29-23(32)8-3-18-11-27-10-9-22(18)19-12-28-31(14-19)21-6-7-21/h1-5,8-12,14,21H,6-7,13,15-16H2,(H,29,32)/b8-3+
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| InChIKey |
SYYLWEQOPOZEHZ-FPYGCLRLSA-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