General Information of the Compound
| Compound ID |
CP0909220
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| Compound Name |
(4R,4aR,5R,11bS)-4-(methoxycarbonyl)-4,11b-dimethyl-1,2,3,4,4a,5,6,11b-octahydrophenanthro[3,2-b]furan-5-yl methyl succinate
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| Structure |
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| Formula |
C25H30O7
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| Molecular Weight |
442.508
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| Canonical SMILES |
COC(=O)CCC(=O)O[C@@H]1Cc2cc3ccoc3cc2[C@@]2(C)CCC[C@@](C)(C(=O)OC)[C@H]12
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| InChI |
InChI=1S/C25H30O7/c1-24-9-5-10-25(2,23(28)30-4)22(24)19(32-21(27)7-6-20(26)29-3)13-16-12-15-8-11-31-18(15)14-17(16)24/h8,11-12,14,19,22H,5-7,9-10,13H2,1-4H3/t19-,22-,24-,25-/m1/s1
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| InChIKey |
NGHCPVQRPAJTPA-YGKWIVMXSA-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