General Information of the Compound
| Compound ID |
CP0392567
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| Compound Name |
[(1R)-1-[(3S,6S,9S,12S,18R,21S,22R)-21-acetamido-18-benzyl-3-[(1R)-1-methoxyethyl]-4,9,10,12,16,22-hexamethyl-15-methylidene-2,5,8,11,14,17,20-heptaoxo-1,19-dioxa-4,7,10,13,16-pentazacyclodocos-6-yl]-2-methylpropyl] (2S,3R)-2-(hexanoylamino)-3-hydroxy-4-methylpentanoate
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| Structure |
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| Formula |
C50H77N7O15
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| Molecular Weight |
1016.2
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| Canonical SMILES |
CCCCCC(=O)N[C@@H]([C@H](O)C(C)C)C(=O)O[C@H](C(C)C)[C@@H]1NC(=O)[C@H](C)N(C)C(=O)[C@H](C)NC(=O)C(=C)N(C)C(=O)[C@@H](Cc2ccccc2)OC(=O)[C@@H](NC(C)=O)[C@@H](C)OC(=O)[C@H]([C@@H](C)OC)N(C)C1=O
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| InChI |
InChI=1S/C50H77N7O15/c1-16-17-19-24-36(59)53-38(41(60)26(2)3)49(67)72-42(27(4)5)39-47(65)57(14)40(32(10)69-15)50(68)70-31(9)37(52-33(11)58)48(66)71-35(25-34-22-20-18-21-23-34)46(64)56(13)29(7)43(61)51-28(6)45(63)55(12)30(8)44(62)54-39/h18,20-23,26-28,30-32,35,37-42,60H,7,16-17,19,24-25H2,1-6,8-15H3,(H,51,61)(H,52,58)(H,53,59)(H,54,62)/t28-,30-,31+,32+,35+,37-,38-,39-,40-,41+,42+/m0/s1
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| InChIKey |
OIXFCGWUWTUMJO-BQFCSTJRSA-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