General Information of the Compound
| Compound ID |
CP0952556
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| Compound Name |
(4R,4aR,5R,11bS)-methyl 5-acetoxy-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 |
C22H27NO5
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| Molecular Weight |
385.46
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| Canonical SMILES |
COC(=O)[C@]1(C)CCC[C@]2(C)c3cc4oc(C)nc4cc3C[C@@H](OC(C)=O)[C@@H]12
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| InChI |
InChI=1S/C22H27NO5/c1-12-23-16-9-14-10-18(28-13(2)24)19-21(3,15(14)11-17(16)27-12)7-6-8-22(19,4)20(25)26-5/h9,11,18-19H,6-8,10H2,1-5H3/t18-,19-,21-,22-/m1/s1
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| InChIKey |
VSOVKZXONKYDSI-UGESXGAOSA-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