General Information of the Compound
| Compound ID |
CP0507096
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| Compound Name |
(1S,2R,5R,6S,7S,8R,9S,11R,13R,14R)-15-[2-(4-chlorophenyl)ethyl]-8-[(3R,4S,6R)-4-[cyclohexyl(methyl)amino]-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-6-[(4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-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 |
C52H83ClN2O13
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| Molecular Weight |
979.69
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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]([C@H]2O)N(C)C2CCCCC2)[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/C52H83ClN2O13/c1-14-39-52(10)44(55(49(60)68-52)25-24-35-20-22-36(53)23-21-35)31(4)41(56)29(2)27-51(9,62-13)46(67-48-42(57)38(26-30(3)63-48)54(11)37-18-16-15-17-19-37)32(5)43(33(6)47(59)65-39)66-40-28-50(8,61-12)45(58)34(7)64-40/h20-23,29-34,37-40,42-46,48,57-58H,14-19,24-28H2,1-13H3/t29-,30-,31+,32+,33-,34+,38+,39-,40?,42-,43+,44-,45+,46-,48?,50-,51+,52-/m1/s1
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| InChIKey |
DNIWCJBUTSJBTP-NUMJTTQSSA-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