General Information of the Compound
| Compound ID |
CP0437910
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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)-3-hydroxy-3-methyl-1-(3-phenylpropyl)pyrrolidin-2-one
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| Structure |
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| Formula |
C36H51NO4
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| Molecular Weight |
561.807
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| Canonical SMILES |
C[C@H](C[C@H]1C[C@](C)(O)C(=O)N1CCCc1ccccc1)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C
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| InChI |
InChI=1S/C36H51NO4/c1-24(20-29-23-36(4,41)34(40)37(29)19-9-12-26-10-6-5-7-11-26)31-16-17-32-27(13-8-18-35(31,32)3)14-15-28-21-30(38)22-33(39)25(28)2/h5-7,10-11,14-15,24,29-33,38-39,41H,2,8-9,12-13,16-23H2,1,3-4H3/b27-14+,28-15-/t24-,29+,30-,31-,32+,33+,35-,36+/m1/s1
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| InChIKey |
JOEKJFCNQQZWMQ-VKEKJUHYSA-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