General Information of the Compound
| Compound ID |
CP0530068
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| Compound Name |
(1R,3aR,4R,5S,7aR)-3a,7a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-5-[methyl(pent-4-enyl)amino]-2,3,4,5,6,7-hexahydro-1H-inden-4-ol
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| Structure |
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| Formula |
C25H47NO
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| Molecular Weight |
377.657
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| Canonical SMILES |
CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H](O)[C@H](CC[C@]12C)N(C)CCCC=C
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| InChI |
InChI=1S/C25H47NO/c1-8-9-10-18-26(7)22-15-17-24(5)21(14-16-25(24,6)23(22)27)20(4)13-11-12-19(2)3/h8,19-23,27H,1,9-18H2,2-7H3/t20-,21-,22+,23+,24-,25+/m1/s1
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| InChIKey |
PCTYGFSTMLZDIV-LUXCBIKGSA-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