General Information of the Compound
| Compound ID |
CP0538319
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| Compound Name |
(1R,3aR,4R,5S,7aR)-5-[benzyl(pent-4-enyl)amino]-3a,7a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7-hexahydro-1H-inden-4-ol
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| Structure |
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| Formula |
C31H51NO
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| Molecular Weight |
453.755
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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(CCCC=C)Cc1ccccc1
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| InChI |
InChI=1S/C31H51NO/c1-7-8-12-22-32(23-26-16-10-9-11-17-26)28-19-21-30(5)27(18-20-31(30,6)29(28)33)25(4)15-13-14-24(2)3/h7,9-11,16-17,24-25,27-29,33H,1,8,12-15,18-23H2,2-6H3/t25-,27-,28+,29+,30-,31+/m1/s1
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| InChIKey |
CGAPHUZRIGKVGY-PKZWFLEWSA-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