General Information of the Compound
| Compound ID |
CP0389385
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| Compound Name |
[(1R)-1-[(3S,6S,9S,12S,18R,21S,22R)-21-acetamido-3-[(1R)-1-methoxyethyl]-4,9,10,12,16,22-hexamethyl-15-methylidene-18-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,19-dioxa-4,7,10,13,16-pentazacyclodocos-6-yl]-2-methylpropyl] (2S,3R)-2-acetamido-3-hydroxy-4-methylpentanoate
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| Structure |
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| Formula |
C43H71N7O15
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| Molecular Weight |
926.075
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| Canonical SMILES |
CO[C@H](C)[C@@H]1N(C)C(=O)[C@@H](NC(=O)[C@H](C)N(C)C(=O)[C@H](C)NC(=O)C(=C)N(C)C(=O)[C@@H](CC(C)C)OC(=O)[C@@H](NC(C)=O)[C@@H](C)OC1=O)[C@H](OC(=O)[C@@H](NC(C)=O)[C@H](O)C(C)C)C(C)C
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| InChI |
InChI=1S/C43H71N7O15/c1-19(2)18-29-39(57)49(15)23(8)36(54)44-22(7)38(56)48(14)24(9)37(55)47-32(35(21(5)6)65-42(60)31(46-28(13)52)34(53)20(3)4)40(58)50(16)33(26(11)62-17)43(61)63-25(10)30(41(59)64-29)45-27(12)51/h19-22,24-26,29-35,53H,8,18H2,1-7,9-17H3,(H,44,54)(H,45,51)(H,46,52)(H,47,55)/t22-,24-,25+,26+,29+,30-,31-,32-,33-,34+,35+/m0/s1
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| InChIKey |
POBANDZYCJPILV-FDJMTJPNSA-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
Protein ID: PT06433, Guanine nucleotide-binding protein G(o) subunit alpha
Protein ID: PT06434, Guanine nucleotide-binding protein G(s) subunit alpha isoforms XLas