General Information of the Compound
| Compound ID |
CP0389382
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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-benzamido-3-hydroxy-4-methylpentanoate
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| Structure |
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| Formula |
C51H71N7O15
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| Molecular Weight |
1022.163
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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](NC(C)=O)[C@@H](C)OC1=O)[C@H](OC(=O)[C@@H](NC(=O)c1ccccc1)[C@H](O)C(C)C)C(C)C
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| InChI |
InChI=1S/C51H71N7O15/c1-26(2)41(60)38(54-45(63)35-23-19-16-20-24-35)50(68)73-42(27(3)4)39-48(66)58(13)40(32(9)70-14)51(69)71-31(8)37(53-33(10)59)49(67)72-36(25-34-21-17-15-18-22-34)47(65)57(12)29(6)43(61)52-28(5)46(64)56(11)30(7)44(62)55-39/h15-24,26-28,30-32,36-42,60H,6,25H2,1-5,7-14H3,(H,52,61)(H,53,59)(H,54,63)(H,55,62)/t28-,30-,31+,32+,36+,37-,38-,39-,40-,41+,42+/m0/s1
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| InChIKey |
ZFNJRAXTBSDGTJ-ZYUHJPJISA-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