General Information of the Compound
| Compound ID |
CP0003538
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| Compound Name |
(E)-N-[4-[(3,3-difluoropyrrolidin-1-yl)methyl]phenyl]-3-[4-(1-methylpyrazol-4-yl)pyridin-3-yl]prop-2-enamide
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| Structure |
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| Formula |
C23H23F2N5O
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| Molecular Weight |
423.467
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| Canonical SMILES |
Cn1cc(cn1)-c1ccncc1\C=C\C(=O)Nc1ccc(CN2CCC(F)(F)C2)cc1
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| InChI |
InChI=1S/C23H23F2N5O/c1-29-15-19(13-27-29)21-8-10-26-12-18(21)4-7-22(31)28-20-5-2-17(3-6-20)14-30-11-9-23(24,25)16-30/h2-8,10,12-13,15H,9,11,14,16H2,1H3,(H,28,31)/b7-4+
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| InChIKey |
LUSRSUWSGVIMEM-QPJJXVBHSA-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