General Information of the Compound
| Compound ID |
CP0460073
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| Compound Name |
benzyl N-[1-[[(3S,4S)-1-(cyclopentanecarbonyl)-4-phenylpyrrolidin-3-yl]methyl]piperidin-4-yl]-N-ethylcarbamate
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| Structure |
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| Formula |
C32H43N3O3
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| Molecular Weight |
517.714
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| Canonical SMILES |
CCN(C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)C(=O)C2CCCC2)CC1)C(=O)OCc1ccccc1
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| InChI |
InChI=1S/C32H43N3O3/c1-2-35(32(37)38-24-25-11-5-3-6-12-25)29-17-19-33(20-18-29)21-28-22-34(31(36)27-15-9-10-16-27)23-30(28)26-13-7-4-8-14-26/h3-8,11-14,27-30H,2,9-10,15-24H2,1H3/t28-,30+/m0/s1
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| InChIKey |
XIMQRVAHXBOEOW-MFMCTBQISA-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