General Information of the Compound
| Compound ID |
CP0494219
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| Compound Name |
[2-[[diethoxyphosphoryl-(4-methoxyphenyl)methyl]amino]-2-oxoethyl] (2R,4aS,6aR,6aS,14aS,14bR)-10-hydroxy-2,4a,6a,6a,9,14a-hexamethyl-11-oxo-1,3,4,5,6,13,14,14b-octahydropicene-2-carboxylate
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| Formula |
C43H58NO9P
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| Molecular Weight |
763.909
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| Canonical SMILES |
CCOP(=O)(OCC)C(NC(=O)COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(C)=C(O)C(=O)C=C5[C@]4(C)CC[C@@]3(C)[C@@H]2C1)c1ccc(OC)cc1
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| InChI |
InChI=1S/C43H58NO9P/c1-10-52-54(49,53-11-2)37(28-12-14-29(50-9)15-13-28)44-35(46)26-51-38(48)40(5)19-18-39(4)20-22-42(7)33-17-16-30-27(3)36(47)32(45)24-31(30)41(33,6)21-23-43(42,8)34(39)25-40/h12-17,24,34,37,47H,10-11,18-23,25-26H2,1-9H3,(H,44,46)/t34-,37?,39-,40-,41+,42-,43+/m1/s1
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| InChIKey |
SJKRQHKIWUTWJI-YQEUNXDASA-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