General Information of the Compound
| Compound ID |
CP0456938
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| Compound Name |
1-[(3S,4S)-1-Benzyl-4-(4-chloro-phenyl)-pyrrolidin-3-ylmethyl]-4-phenyl-piperidine
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| Structure |
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| Formula |
C29H33ClN2
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| Molecular Weight |
445.05
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| Canonical SMILES |
Clc1ccc(cc1)[C@H]1CN(Cc2ccccc2)C[C@@H]1CN1CCC(CC1)c1ccccc1
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| InChI |
InChI=1S/C29H33ClN2/c30-28-13-11-26(12-14-28)29-22-32(19-23-7-3-1-4-8-23)21-27(29)20-31-17-15-25(16-18-31)24-9-5-2-6-10-24/h1-14,25,27,29H,15-22H2/t27-,29+/m0/s1
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| InChIKey |
CLVOVQDWCOTBAC-LMSSTIIKSA-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