General Information of the Compound
| Compound ID |
CP0389381
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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-pentamethyl-15-methylidene-2,5,8,11,14,17,20-heptaoxo-22-propan-2-yl-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 |
C48H73N7O15
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| Molecular Weight |
988.146
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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](OC1=O)C(C)C)[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/C48H73N7O15/c1-23(2)38(58)34(50-30(11)56)46(64)69-39(24(3)4)35-45(63)55(15)37(29(10)67-16)48(66)70-40(25(5)6)36(51-31(12)57)47(65)68-33(22-32-20-18-17-19-21-32)44(62)54(14)27(8)41(59)49-26(7)43(61)53(13)28(9)42(60)52-35/h17-21,23-26,28-29,33-40,58H,8,22H2,1-7,9-16H3,(H,49,59)(H,50,56)(H,51,57)(H,52,60)/t26-,28-,29+,33+,34-,35-,36-,37-,38+,39+,40+/m0/s1
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| InChIKey |
XJZZLJBNEVIWCM-CKGACGKLSA-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