General Information of the Compound
| Compound ID |
CP0403795
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| Compound Name |
1'-(4-isopropylcyclohexyl)-2-methyl-5-phenyl-(3aR,6aR)-spiro[perhydrocyclopenta[c]pyrrole-4,4'-(hexahydropyridine)]
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| Structure |
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| Formula |
C27H42N2
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| Molecular Weight |
394.647
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| Canonical SMILES |
CC(C)C1CCC(CC1)N1CCC2(CC1)[C@@H]1CN(C)C[C@@H]1CC2c1ccccc1
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| InChI |
InChI=1S/C27H42N2/c1-20(2)21-9-11-24(12-10-21)29-15-13-27(14-16-29)25(22-7-5-4-6-8-22)17-23-18-28(3)19-26(23)27/h4-8,20-21,23-26H,9-19H2,1-3H3/t21?,23-,24?,25?,26+/m0/s1
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| InChIKey |
FNTLZGSLCSXJMW-NKFFQIKASA-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