General Information of the Compound
| Compound ID |
CP0501169
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| Compound Name |
1-((3S,4S)-1-Benzyl-4-m-tolyl-pyrrolidin-3-ylmethyl)-4-phenyl-piperidine
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| Structure |
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| Formula |
C30H36N2
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| Molecular Weight |
424.632
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| Canonical SMILES |
Cc1cccc(c1)[C@H]1CN(Cc2ccccc2)C[C@@H]1CN1CCC(CC1)c1ccccc1
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| InChI |
InChI=1S/C30H36N2/c1-24-9-8-14-28(19-24)30-23-32(20-25-10-4-2-5-11-25)22-29(30)21-31-17-15-27(16-18-31)26-12-6-3-7-13-26/h2-14,19,27,29-30H,15-18,20-23H2,1H3/t29-,30+/m0/s1
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| InChIKey |
VFLGCTDTGODARK-XZWHSSHBSA-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