General Information of the Compound
| Compound ID |
CP0568553
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| Compound Name |
(1R,9S,12S,15S,16E,18R,19R,21R,23S,24E,26E,28E,32S,35R)-12-[(2R)-1-[(1S,3R,4R)-4-dimethylphosphoryloxy-3-methoxycyclohexyl]propan-2-yl]-30-(1,1-dioxo-1,2-thiazolidin-2-yl)-1,18-dihydroxy-19-methoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,20-tetrone
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| Structure |
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| Formula |
C55H89N2O14PS
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| Molecular Weight |
1065.358
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| Canonical SMILES |
CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\C(C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)N2CCCS2(=O)=O)CC[C@H]1OP(C)(C)=O
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| InChI |
InChI=1S/C55H89N2O14PS/c1-35-18-13-12-14-19-37(3)45(57-28-17-29-73(57,65)66)34-43-24-22-41(7)55(63,70-43)52(60)53(61)56-27-16-15-20-44(56)54(62)69-46(38(4)32-42-23-26-47(48(33-42)67-8)71-72(10,11)64)25-21-36(2)31-40(6)50(59)51(68-9)49(58)39(5)30-35/h12-14,18-19,31,35-36,38-39,41-48,50-51,59,63H,15-17,20-30,32-34H2,1-11H3/b14-12+,18-13+,37-19+,40-31+/t35-,36+,38-,39-,41-,42+,43+,44+,45?,46+,47-,48-,50-,51+,55-/m1/s1
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| InChIKey |
OGXIPDVLRGUPQZ-XZCRSXPXSA-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