General Information of the Compound
| Compound ID |
CP0341823
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| Compound Name |
(E)-N-(2-propyl-4-(pyrrolidin-1-yl)quinolin-6-yl)-3-(4-(trifluoromethyl)phenyl)acrylamide
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| Structure |
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| Formula |
C26H26F3N3O
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| Molecular Weight |
453.508
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| Canonical SMILES |
CCCc1cc(N2CCCC2)c2cc(NC(=O)\C=C\c3ccc(cc3)C(F)(F)F)ccc2n1
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| InChI |
InChI=1S/C26H26F3N3O/c1-2-5-20-17-24(32-14-3-4-15-32)22-16-21(11-12-23(22)30-20)31-25(33)13-8-18-6-9-19(10-7-18)26(27,28)29/h6-13,16-17H,2-5,14-15H2,1H3,(H,31,33)/b13-8+
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| InChIKey |
XEVASSAWJSQJLJ-MDWZMJQESA-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