General Information of the Compound
| Compound ID |
CP0513809
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| Compound Name |
(E)-N-((1R,3S)-3-((4-(4-methoxyphenyl)piperidin-1-yl)methyl)cyclopentyl)-3-(3,4,5-trifluorophenyl)acrylamide
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| Structure |
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| Formula |
C27H31F3N2O2
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| Molecular Weight |
472.551
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| Canonical SMILES |
COc1ccc(cc1)C1CCN(C[C@H]2CC[C@H](C2)NC(=O)\C=C\c2cc(F)c(F)c(F)c2)CC1
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| InChI |
InChI=1S/C27H31F3N2O2/c1-34-23-7-4-20(5-8-23)21-10-12-32(13-11-21)17-19-2-6-22(14-19)31-26(33)9-3-18-15-24(28)27(30)25(29)16-18/h3-5,7-9,15-16,19,21-22H,2,6,10-14,17H2,1H3,(H,31,33)/b9-3+/t19-,22+/m0/s1
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| InChIKey |
WTRAKJGFQMWFED-JRIRUICCSA-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