General Information of the Compound
| Compound ID |
CP0532407
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| Compound Name |
methyl N-[1-[[(3S,4S)-1-benzoyl-4-phenylpyrrolidin-3-yl]methyl]piperidin-4-yl]-N-(cyclopentylmethyl)carbamate
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| Structure |
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| Formula |
C31H41N3O3
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| Molecular Weight |
503.687
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| Canonical SMILES |
COC(=O)N(CC1CCCC1)C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)C(=O)c2ccccc2)CC1
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| InChI |
InChI=1S/C31H41N3O3/c1-37-31(36)34(20-24-10-8-9-11-24)28-16-18-32(19-17-28)21-27-22-33(30(35)26-14-6-3-7-15-26)23-29(27)25-12-4-2-5-13-25/h2-7,12-15,24,27-29H,8-11,16-23H2,1H3/t27-,29+/m0/s1
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| InChIKey |
OKWPNFAMBNYWLU-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