General Information of the Compound
| Compound ID |
CP0312662
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| Compound Name |
(3S,5S)-5-((R)-2-((1R,3aS,7aR)-4-(2-((3S,5R)-3,5-dihydroxy-2-methylenecyclohexylidene)ethylidene)-7a-methyl-octahydro-1H-inden-1-yl)propyl)-1-(3-(3,5-dimethoxyphenyl)propyl)-3-hydroxy-3-methylpyrrolidin-2-one
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| Structure |
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| Formula |
C38H55NO6
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| Molecular Weight |
621.859
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| Canonical SMILES |
COc1cc(CCCN2[C@@H](C[C@@H](C)[C@H]3CC[C@H]4\C(CCC[C@]34C)=C\C=C3\C[C@@H](O)C[C@H](O)C3=C)C[C@](C)(O)C2=O)cc(OC)c1
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| InChI |
InChI=1S/C38H55NO6/c1-24(17-29-23-38(4,43)36(42)39(29)16-8-9-26-18-31(44-5)22-32(19-26)45-6)33-13-14-34-27(10-7-15-37(33,34)3)11-12-28-20-30(40)21-35(41)25(28)2/h11-12,18-19,22,24,29-30,33-35,40-41,43H,2,7-10,13-17,20-21,23H2,1,3-6H3/b27-11+,28-12-/t24-,29+,30-,33-,34+,35+,37-,38+/m1/s1
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| InChIKey |
WNRXEQIWUJWRQS-DKEZQWOMSA-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