General Information of the Compound
| Compound ID |
CP0947667
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| Compound Name |
(4R,4aR,5R,11bS)-methyl 5-hydroxy-4,9,11b-trimethyl-1,2,3,4,4a,5,6,11b-octahydrophenanthro-[2,3-d]oxazole-4-carboxylate
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| Structure |
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| Formula |
C20H25NO4
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| Molecular Weight |
343.423
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| Canonical SMILES |
COC(=O)[C@]1(C)CCC[C@]2(C)c3cc4oc(C)nc4cc3C[C@@H](O)[C@@H]12
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| InChI |
InChI=1S/C20H25NO4/c1-11-21-14-8-12-9-15(22)17-19(2,13(12)10-16(14)25-11)6-5-7-20(17,3)18(23)24-4/h8,10,15,17,22H,5-7,9H2,1-4H3/t15-,17-,19-,20-/m1/s1
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| InChIKey |
MEXAYNBVZBMZGN-RARDXLECSA-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