General Information of the Compound
| Compound ID |
CP0423587
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| Compound Name |
benzyl N-[1-[[(2S,3aS,4S,5S)-2,5-diphenyl-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazol-4-yl]methyl]piperidin-4-yl]-N-ethylcarbamate
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| Structure |
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| Formula |
C34H41N3O3
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| Molecular Weight |
539.72
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| Canonical SMILES |
CCN(C1CCN(C[C@H]2[C@@H]3C[C@H](ON3C[C@@H]2c2ccccc2)c2ccccc2)CC1)C(=O)OCc1ccccc1
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| InChI |
InChI=1S/C34H41N3O3/c1-2-36(34(38)39-25-26-12-6-3-7-13-26)29-18-20-35(21-19-29)23-31-30(27-14-8-4-9-15-27)24-37-32(31)22-33(40-37)28-16-10-5-11-17-28/h3-17,29-33H,2,18-25H2,1H3/t30-,31-,32+,33+/m1/s1
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| InChIKey |
WIIDGEGJDZSGHC-FYZVQMPESA-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