General Information of the Compound
| Compound ID |
CP0568555
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| Compound Name |
(1R,9S,12S,15S,16E,18R,19R,21R,23S,24E,26E,28E,32S,35R)-1,18-dihydroxy-30-[3-(2-hydroxyethyl)-2-oxoimidazolidin-1-yl]-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 |
C55H87N3O13
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| Molecular Weight |
998.309
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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)N2CCN(CCO)C2=O)CC[C@H]1O
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| InChI |
InChI=1S/C55H87N3O13/c1-34-15-11-10-12-16-36(3)44(58-26-25-56(27-28-59)54(58)66)33-42-21-19-40(7)55(67,71-42)51(63)52(64)57-24-14-13-17-43(57)53(65)70-46(37(4)31-41-20-22-45(60)47(32-41)68-8)23-18-35(2)30-39(6)49(62)50(69-9)48(61)38(5)29-34/h10-12,15-16,30,34-35,37-38,40-47,49-50,59-60,62,67H,13-14,17-29,31-33H2,1-9H3/b12-10+,15-11+,36-16+,39-30+/t34-,35+,37-,38-,40-,41+,42+,43+,44?,45-,46+,47-,49-,50+,55-/m1/s1
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| InChIKey |
HZGNNLZIIASQPE-QVKDGJRMSA-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