General Information of the Compound
| Compound ID |
CP0479279
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| Compound Name |
(2S,3aS,4S,5S)-2,4-Diphenyl-5-(4-phenyl-piperidin-1-ylmethyl)-hexahydro-pyrrolo[1,2-b]isoxazole
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| Structure |
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| Formula |
C30H34N2O
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| Molecular Weight |
438.615
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| Canonical SMILES |
C([C@H]1CN2O[C@@H](C[C@H]2[C@@H]1c1ccccc1)c1ccccc1)N1CCC(CC1)c1ccccc1
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| InChI |
InChI=1S/C30H34N2O/c1-4-10-23(11-5-1)24-16-18-31(19-17-24)21-27-22-32-28(30(27)26-14-8-3-9-15-26)20-29(33-32)25-12-6-2-7-13-25/h1-15,24,27-30H,16-22H2/t27-,28-,29-,30+/m0/s1
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| InChIKey |
ZQOGOOYTWRIHLO-GCXHJFECSA-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