General Information of the Compound
| Compound ID |
CP0558253
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| Compound Name |
(1R,9S,12S,15S,16E,18R,19R,21R,23S,24E,26E,28E,32S,35R)-30-(1,1-dioxothiazetidin-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 |
C52H82N2O13S
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| Molecular Weight |
975.296
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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)N2CCS2(=O)=O)CC[C@H]1O
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| InChI |
InChI=1S/C52H82N2O13S/c1-32-15-11-10-12-16-34(3)42(54-25-26-68(54,62)63)31-40-21-19-38(7)52(61,67-40)49(58)50(59)53-24-14-13-17-41(53)51(60)66-44(35(4)29-39-20-22-43(55)45(30-39)64-8)23-18-33(2)28-37(6)47(57)48(65-9)46(56)36(5)27-32/h10-12,15-16,28,32-33,35-36,38-45,47-48,55,57,61H,13-14,17-27,29-31H2,1-9H3/b12-10+,15-11+,34-16+,37-28+/t32-,33+,35-,36-,38-,39+,40+,41+,42?,43-,44+,45-,47-,48+,52-/m1/s1
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| InChIKey |
ORALXZMWFFMYLU-TZBZESKCSA-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