General Information of the Compound
| Compound ID |
CP0007445
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| Compound Name |
(E)-N-[4-[(2-methylmorpholin-4-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 |
C24H27N5O2
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| Molecular Weight |
417.513
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| Canonical SMILES |
CC1CN(Cc2ccc(NC(=O)\C=C\c3cnccc3-c3cnn(C)c3)cc2)CCO1
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| InChI |
InChI=1S/C24H27N5O2/c1-18-15-29(11-12-31-18)16-19-3-6-22(7-4-19)27-24(30)8-5-20-13-25-10-9-23(20)21-14-26-28(2)17-21/h3-10,13-14,17-18H,11-12,15-16H2,1-2H3,(H,27,30)/b8-5+
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| InChIKey |
FLCVCISWDBTPRS-VMPITWQZSA-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