General Information of the Compound
| Compound ID |
CP0381079
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| Compound Name |
(1S,2R,5R,6S,7S,8R,9S,11R,13R,14R)-15-[2-(4-chlorophenyl)ethyl]-2-ethyl-6-[(4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-8-[(3R,4S,6R)-3-hydroxy-6-methyl-4-(methylamino)oxan-2-yl]oxy-9-methoxy-1,5,7,9,11,13-hexamethyl-3,17-dioxa-15-azabicyclo[12.3.0]heptadecane-4,12,16-trione
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| Structure |
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| Formula |
C46H73ClN2O13
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| Molecular Weight |
897.544
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| Canonical SMILES |
CC[C@H]1OC(=O)[C@H](C)[C@@H](OC2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](OC2O[C@H](C)C[C@H](NC)[C@H]2O)[C@](C)(C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCc3ccc(Cl)cc3)C(=O)O[C@]12C)OC
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| InChI |
InChI=1S/C46H73ClN2O13/c1-14-33-46(10)38(49(43(54)62-46)20-19-30-15-17-31(47)18-16-30)26(4)35(50)24(2)22-45(9,56-13)40(61-42-36(51)32(48-11)21-25(3)57-42)27(5)37(28(6)41(53)59-33)60-34-23-44(8,55-12)39(52)29(7)58-34/h15-18,24-29,32-34,36-40,42,48,51-52H,14,19-23H2,1-13H3/t24-,25-,26+,27+,28-,29+,32+,33-,34?,36-,37+,38-,39+,40-,42?,44-,45+,46-/m1/s1
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| InChIKey |
SFEZEWDFTZQVRO-XPFRZMGDSA-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