General Information of the Compound
| Compound ID |
CP0570771
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| Compound Name |
[2-[[diethoxyphosphoryl-(4-fluorophenyl)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 |
C42H55FNO8P
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| Molecular Weight |
751.873
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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(F)cc1
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| InChI |
InChI=1S/C42H55FNO8P/c1-9-51-53(49,52-10-2)36(27-11-13-28(43)14-12-27)44-34(46)25-50-37(48)39(5)18-17-38(4)19-21-41(7)32-16-15-29-26(3)35(47)31(45)23-30(29)40(32,6)20-22-42(41,8)33(38)24-39/h11-16,23,33,36,47H,9-10,17-22,24-25H2,1-8H3,(H,44,46)/t33-,36?,38-,39-,40+,41-,42+/m1/s1
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| InChIKey |
CEMFKPIWXXKPRY-KEHHCENVSA-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