General Information of the Compound
| Compound ID |
CP0520257
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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-[cyclopropylmethyl(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 |
C50H79ClN2O13
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| Molecular Weight |
951.636
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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)CC2CC2)[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/C50H79ClN2O13/c1-14-37-50(10)42(53(47(58)66-50)22-21-33-17-19-35(51)20-18-33)29(4)39(54)27(2)24-49(9,60-13)44(65-46-40(55)36(23-28(3)61-46)52(11)26-34-15-16-34)30(5)41(31(6)45(57)63-37)64-38-25-48(8,59-12)43(56)32(7)62-38/h17-20,27-32,34,36-38,40-44,46,55-56H,14-16,21-26H2,1-13H3/t27-,28-,29+,30+,31-,32+,36+,37-,38?,40-,41+,42-,43+,44-,46?,48-,49+,50-/m1/s1
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| InChIKey |
YGKMYYFJXJYWAH-OJXVMNKKSA-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