General Information of the Compound
| Compound ID |
CP0520983
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| Compound Name |
benzyl N-[1-[[(3S,4R)-1-(cyclopentanecarbonyl)-4-hydroxy-4-phenylpyrrolidin-3-yl]methyl]piperidin-4-yl]-N-prop-2-enylcarbamate
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| Structure |
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| Formula |
C33H43N3O4
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| Molecular Weight |
545.724
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| Canonical SMILES |
O[C@@]1(CN(C[C@@H]1CN1CCC(CC1)N(CC=C)C(=O)OCc1ccccc1)C(=O)C1CCCC1)c1ccccc1
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| InChI |
InChI=1S/C33H43N3O4/c1-2-19-36(32(38)40-24-26-11-5-3-6-12-26)30-17-20-34(21-18-30)22-29-23-35(31(37)27-13-9-10-14-27)25-33(29,39)28-15-7-4-8-16-28/h2-8,11-12,15-16,27,29-30,39H,1,9-10,13-14,17-25H2/t29-,33-/m0/s1
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| InChIKey |
BKDHQICAVDDNCH-ZQAZVOLISA-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