General Information of the Compound
| Compound ID |
CP0530018
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| Compound Name |
benzyl N-[1-[[(3S,4S)-1-(2-chlorobenzoyl)-4-phenylpyrrolidin-3-yl]methyl]piperidin-4-yl]-N-ethylcarbamate
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| Structure |
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| Formula |
C33H38ClN3O3
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| Molecular Weight |
560.138
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| Canonical SMILES |
CCN(C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)C(=O)c2ccccc2Cl)CC1)C(=O)OCc1ccccc1
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| InChI |
InChI=1S/C33H38ClN3O3/c1-2-37(33(39)40-24-25-11-5-3-6-12-25)28-17-19-35(20-18-28)21-27-22-36(23-30(27)26-13-7-4-8-14-26)32(38)29-15-9-10-16-31(29)34/h3-16,27-28,30H,2,17-24H2,1H3/t27-,30+/m0/s1
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| InChIKey |
BCGZEKDZDMYASL-BHBYDHKZSA-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