General Information of the Compound
| Compound ID |
CP0426557
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| Compound Name |
[(1R)-1-[(3S,6S,9S,12S,18R,21S)-21-acetamido-18-benzyl-3-[(1R)-1-methoxyethyl]-4,9,10,12,16-pentamethyl-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-acetamido-3-hydroxy-4-methylpentanoate
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| Structure |
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| Formula |
C45H67N7O15
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| Molecular Weight |
946.065
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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](Cc2ccccc2)OC(=O)[C@H](COC1=O)NC(C)=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/C45H67N7O15/c1-22(2)36(55)33(48-29(10)54)44(62)67-37(23(3)4)34-42(60)52(13)35(27(8)64-14)45(63)65-21-31(47-28(9)53)43(61)66-32(20-30-18-16-15-17-19-30)41(59)51(12)25(6)38(56)46-24(5)40(58)50(11)26(7)39(57)49-34/h15-19,22-24,26-27,31-37,55H,6,20-21H2,1-5,7-14H3,(H,46,56)(H,47,53)(H,48,54)(H,49,57)/t24-,26-,27+,31-,32+,33-,34-,35-,36+,37+/m0/s1
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| InChIKey |
WRGMBKWSZGVFLV-MJZZTYLPSA-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