General Information of the Compound
| Compound ID |
CP0155255
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| Compound Name |
(3S,5S)-5-[(2R)-2-[(1R,4E,7aR)-4-[(2Z)-2-[(3S,5R)-3,5-dihydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propyl]-3-hydroxy-1-[(4-methoxyphenyl)methyl]-3-methylpyrrolidin-2-one
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| Structure |
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| Formula |
C35H49NO5
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| Molecular Weight |
563.779
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| Canonical SMILES |
COc1ccc(CN2[C@@H](C[C@@H](C)[C@H]3CCC4\C(CCC[C@]34C)=C\C=C3\C[C@@H](O)C[C@H](O)C3=C)C[C@](C)(O)C2=O)cc1
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| InChI |
InChI=1S/C35H49NO5/c1-22(17-27-20-35(4,40)33(39)36(27)21-24-8-12-29(41-5)13-9-24)30-14-15-31-25(7-6-16-34(30,31)3)10-11-26-18-28(37)19-32(38)23(26)2/h8-13,22,27-28,30-32,37-38,40H,2,6-7,14-21H2,1,3-5H3/b25-10+,26-11-/t22-,27+,28-,30-,31?,32+,34-,35+/m1/s1
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| InChIKey |
NZSDGHQQGJIFKV-CZNZMCKVSA-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