General Information of the Compound
| Compound ID |
CP0467801
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| Compound Name |
benzyl N-[1-[[(3S,4S)-1-benzyl-4-phenylpyrrolidin-3-yl]methyl]piperidin-4-yl]-N-ethylcarbamate
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| Structure |
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| Formula |
C33H41N3O2
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| Molecular Weight |
511.71
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| Canonical SMILES |
CCN(C1CCN(C[C@H]2CN(Cc3ccccc3)C[C@@H]2c2ccccc2)CC1)C(=O)OCc1ccccc1
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| InChI |
InChI=1S/C33H41N3O2/c1-2-36(33(37)38-26-28-14-8-4-9-15-28)31-18-20-34(21-19-31)23-30-24-35(22-27-12-6-3-7-13-27)25-32(30)29-16-10-5-11-17-29/h3-17,30-32H,2,18-26H2,1H3/t30-,32+/m0/s1
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| InChIKey |
YENQPZRMKBJCFS-XDFJSJKPSA-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