General Information of the Compound
| Compound ID |
CP0953661
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| Compound Name |
(4R,4aR,5R,11bS)-N-benzyl-5-hydroxy-4,11b-dimethyl-1,2,3,4,4a,5,6,11b-octahydrophenanthro-[3,2-b]furan-4-carboxamide
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| Structure |
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| Formula |
C26H29NO3
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| Molecular Weight |
403.522
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| Canonical SMILES |
C[C@@]1(C(=O)NCc2ccccc2)CCC[C@]2(C)c3cc4occc4cc3C[C@@H](O)[C@@H]12
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| InChI |
InChI=1S/C26H29NO3/c1-25-10-6-11-26(2,24(29)27-16-17-7-4-3-5-8-17)23(25)21(28)14-19-13-18-9-12-30-22(18)15-20(19)25/h3-5,7-9,12-13,15,21,23,28H,6,10-11,14,16H2,1-2H3,(H,27,29)/t21-,23-,25-,26-/m1/s1
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| InChIKey |
IJDYGGAXXAAENY-XNOGGZAYSA-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