General Information of the Compound
| Compound ID |
CP0514478
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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-[cyclopentyl(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 |
C51H81ClN2O13
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| Molecular Weight |
965.663
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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)C2CCCC2)[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/C51H81ClN2O13/c1-14-38-51(10)43(54(48(59)67-51)24-23-34-19-21-35(52)22-20-34)30(4)40(55)28(2)26-50(9,61-13)45(66-47-41(56)37(25-29(3)62-47)53(11)36-17-15-16-18-36)31(5)42(32(6)46(58)64-38)65-39-27-49(8,60-12)44(57)33(7)63-39/h19-22,28-33,36-39,41-45,47,56-57H,14-18,23-27H2,1-13H3/t28-,29-,30+,31+,32-,33+,37+,38-,39?,41-,42+,43-,44+,45-,47?,49-,50+,51-/m1/s1
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| InChIKey |
MJKZEZXKTGTYGI-WKFRAXOPSA-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