General Information of the Compound
| Compound ID |
CP0529893
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| Compound Name |
Biphenyl-2-yl-[(3S,4S)-3-phenyl-4-(4-phenyl-piperidin-1-ylmethyl)-pyrrolidin-1-yl]-methanone
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| Structure |
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| Formula |
C35H36N2O
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| Molecular Weight |
500.686
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| Canonical SMILES |
O=C(N1C[C@H](CN2CCC(CC2)c2ccccc2)[C@H](C1)c1ccccc1)c1ccccc1-c1ccccc1
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| InChI |
InChI=1S/C35H36N2O/c38-35(33-19-11-10-18-32(33)29-14-6-2-7-15-29)37-25-31(34(26-37)30-16-8-3-9-17-30)24-36-22-20-28(21-23-36)27-12-4-1-5-13-27/h1-19,28,31,34H,20-26H2/t31-,34+/m0/s1
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| InChIKey |
CCGSVSTYVORZET-AFPLUKJUSA-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