General Information of the Compound
| Compound ID |
CP0551877
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| Compound Name |
(E)-3-(3,5-dichlorophenyl)-N-((1R,3S)-3-((4-(4-methoxyphenyl)piperidin-1-yl)methyl)cyclopentyl)acrylamide
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| Structure |
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| Formula |
C27H32Cl2N2O2
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| Molecular Weight |
487.471
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| Canonical SMILES |
COc1ccc(cc1)C1CCN(C[C@H]2CC[C@H](C2)NC(=O)\C=C\c2cc(Cl)cc(Cl)c2)CC1
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| InChI |
InChI=1S/C27H32Cl2N2O2/c1-33-26-7-4-21(5-8-26)22-10-12-31(13-11-22)18-20-2-6-25(16-20)30-27(32)9-3-19-14-23(28)17-24(29)15-19/h3-5,7-9,14-15,17,20,22,25H,2,6,10-13,16,18H2,1H3,(H,30,32)/b9-3+/t20-,25+/m0/s1
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| InChIKey |
URQRXSPEEJLVIK-XJXOZCEMSA-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