General Information of the Compound
| Compound ID |
CP0958027
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| Compound Name |
(4R,4aR,5R,11bS)-4-(benzylcarbamoyl)-4,11b-dimethyl-1,2,3,4,4a,5,6,11b-octahydrophenanthro[3,2-b]furan-5-yl acetate
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| Structure |
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| Formula |
C28H31NO4
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| Molecular Weight |
445.559
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| Canonical SMILES |
CC(=O)O[C@@H]1Cc2cc3ccoc3cc2[C@@]2(C)CCC[C@@](C)(C(=O)NCc3ccccc3)[C@H]12
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| InChI |
InChI=1S/C28H31NO4/c1-18(30)33-24-15-21-14-20-10-13-32-23(20)16-22(21)27(2)11-7-12-28(3,25(24)27)26(31)29-17-19-8-5-4-6-9-19/h4-6,8-10,13-14,16,24-25H,7,11-12,15,17H2,1-3H3,(H,29,31)/t24-,25-,27-,28-/m1/s1
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| InChIKey |
ZKVXELIXWZRFAL-CDRKEARJSA-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