General Information of the Compound
| Compound ID |
CP0420756
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| Compound Name |
(1R,9S,12S,15S,16E,18R,19R,21R,23S,24E,26E,28E,30R,32S,35R)-30-(1,1-dioxo-1,2-thiazolidin-2-yl)-1,18-dihydroxy-12-[(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl]-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 |
C53H84N2O13S
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| Molecular Weight |
989.323
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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@@H](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]1O
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| InChI |
InChI=1S/C53H84N2O13S/c1-33-16-11-10-12-17-35(3)43(55-26-15-27-69(55,63)64)32-41-22-20-39(7)53(62,68-41)50(59)51(60)54-25-14-13-18-42(54)52(61)67-45(36(4)30-40-21-23-44(56)46(31-40)65-8)24-19-34(2)29-38(6)48(58)49(66-9)47(57)37(5)28-33/h10-12,16-17,29,33-34,36-37,39-46,48-49,56,58,62H,13-15,18-28,30-32H2,1-9H3/b12-10+,16-11+,35-17+,38-29+/t33-,34+,36-,37-,39-,40+,41+,42+,43-,44-,45+,46-,48-,49+,53-/m1/s1
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| InChIKey |
RUITWCMYAHZULA-IGGDOHASSA-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