General Information of the Compound
| Compound ID |
CP0502397
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| Compound Name |
1-[(3S,4S)-1-Benzyl-4-(3-fluoro-phenyl)-pyrrolidin-3-ylmethyl]-4-phenyl-piperidine
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| Structure |
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| Formula |
C29H33FN2
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| Molecular Weight |
428.595
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| Canonical SMILES |
Fc1cccc(c1)[C@H]1CN(Cc2ccccc2)C[C@@H]1CN1CCC(CC1)c1ccccc1
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| InChI |
InChI=1S/C29H33FN2/c30-28-13-7-12-26(18-28)29-22-32(19-23-8-3-1-4-9-23)21-27(29)20-31-16-14-25(15-17-31)24-10-5-2-6-11-24/h1-13,18,25,27,29H,14-17,19-22H2/t27-,29+/m0/s1
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| InChIKey |
UAASWCCHNDDVQA-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