General Information of the Compound
| Compound ID |
CP0373713
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| Compound Name |
(2S,3aS,4S,5S)-2,5-Diphenyl-4-[4-(3-phenyl-propyl)-piperidin-1-ylmethyl]-hexahydro-pyrrolo[1,2-b]isoxazole
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| Structure |
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| Formula |
C33H40N2O
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| Molecular Weight |
480.696
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| Canonical SMILES |
C(CC1CCN(C[C@H]2[C@@H]3C[C@H](ON3C[C@@H]2c2ccccc2)c2ccccc2)CC1)Cc1ccccc1
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| InChI |
InChI=1S/C33H40N2O/c1-4-11-26(12-5-1)13-10-14-27-19-21-34(22-20-27)24-31-30(28-15-6-2-7-16-28)25-35-32(31)23-33(36-35)29-17-8-3-9-18-29/h1-9,11-12,15-18,27,30-33H,10,13-14,19-25H2/t30-,31-,32+,33+/m1/s1
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| InChIKey |
WZASNUCKAQFVFE-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