General Information of the Compound
| Compound ID |
CP0173384
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| Compound Name |
(4S,4aR)-6-Hydroxy-4a-methyl-1-(S)-methyl-1,2,3,4,4a,9,10,10a-octahydro-phenanthrene-1-carboxylic acid ((1R,2R,3R,5S)-2,6,6-trimethyl-bicyclo[3.1.1]hept-3-yl)-amide
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| Structure |
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| Formula |
C27H39NO2
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| Molecular Weight |
409.614
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| Canonical SMILES |
C[C@@H]1[C@H]2C[C@@H](C[C@H]1NC(=O)[C@@]1(C)CCC[C@@]3(C)[C@H]1CCc1ccc(O)cc31)C2(C)C
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| InChI |
InChI=1S/C27H39NO2/c1-16-20-13-18(25(20,2)3)14-22(16)28-24(30)27(5)12-6-11-26(4)21-15-19(29)9-7-17(21)8-10-23(26)27/h7,9,15-16,18,20,22-23,29H,6,8,10-14H2,1-5H3,(H,28,30)/t16-,18+,20-,22-,23-,26-,27+/m1/s1
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| InChIKey |
AWFKUZKMHLKRBA-LRZFQQLUSA-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