General Information of the Compound
| Compound ID |
CP0011877
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| Compound Name |
(E)-3-[4-(1-cyclopropylpyrazol-4-yl)pyridin-3-yl]-N-[2-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-isoquinolin-6-yl]prop-2-enamide
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| Structure |
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| Formula |
C25H24F3N5O
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| Molecular Weight |
467.495
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| Canonical SMILES |
FC(F)(F)CN1CCc2cc(NC(=O)\C=C\c3cnccc3-c3cnn(c3)C3CC3)ccc2C1
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| InChI |
InChI=1S/C25H24F3N5O/c26-25(27,28)16-32-10-8-17-11-21(3-1-19(17)14-32)31-24(34)6-2-18-12-29-9-7-23(18)20-13-30-33(15-20)22-4-5-22/h1-3,6-7,9,11-13,15,22H,4-5,8,10,14,16H2,(H,31,34)/b6-2+
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| InChIKey |
JXXSSUSJGPUFLD-QHHAFSJGSA-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