General Information of the Compound
| Compound ID |
CP0440498
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| Compound Name |
1-phenyl-3-{1-[5'-phenyl-(3a'S,4'S,5'S)-spiro[cyclohexane-1,2'-perhydropyrrolo[1,2-b]isoxazole]-4-ylmethyl]hexahydro-4-pyridinyl}propane
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| Structure |
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| Formula |
C32H44N2O
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| Molecular Weight |
472.717
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| Canonical SMILES |
C(CC1CCN(C[C@H]2[C@@H]3CC4(CCCCC4)ON3C[C@@H]2c2ccccc2)CC1)Cc1ccccc1
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| InChI |
InChI=1S/C32H44N2O/c1-4-11-26(12-5-1)13-10-14-27-17-21-33(22-18-27)24-30-29(28-15-6-2-7-16-28)25-34-31(30)23-32(35-34)19-8-3-9-20-32/h1-2,4-7,11-12,15-16,27,29-31H,3,8-10,13-14,17-25H2/t29-,30-,31+/m1/s1
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| InChIKey |
QTGXMSVHAZOWFY-OLUZHXLYSA-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