General Information of the Compound
| Compound ID |
CP0430163
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| Compound Name |
(3S,6S,9S,12S,15S,21S)-21-(2-((S)-2-amino-3-(1H-imidazol-5-yl)propanamido)-2-methylpropanamido)-3-((S)-1-((S)-1-amino-3-(2'-methylbiphenyl-4-yl)-1-oxopropan-2-ylamino)-3-(2'-ethyl-4'-methoxybiphenyl-4-yl)-1-oxopropan-2-ylcarbamoyl)-12-(2-fluorobenzyl)-9,15-bis((R)-1-hydroxyethyl)-6-(hydroxymethyl)-12-methyl-5,8,11,14,17,20-hexaoxo-4,7,10,13,16,19-hexaazatetracosane-1,24-dioic acid
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| Structure |
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| Formula |
C76H95FN14O19
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| Molecular Weight |
1527.673
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| Canonical SMILES |
CCc1cc(OC)ccc1-c1ccc(C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@](C)(Cc2ccccc2F)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc2cnc[nH]2)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](Cc2ccc(cc2)-c2ccccc2C)C(N)=O)cc1
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| InChI |
InChI=1S/C76H95FN14O19/c1-9-45-32-50(110-8)26-27-52(45)47-24-20-44(21-25-47)31-57(68(103)83-56(65(79)100)30-43-18-22-46(23-19-43)51-16-12-10-14-40(51)2)84-69(104)58(34-62(98)99)85-70(105)59(38-92)86-71(106)63(41(3)93)89-74(109)76(7,35-48-15-11-13-17-53(48)77)91-72(107)64(42(4)94)88-60(95)37-81-67(102)55(28-29-61(96)97)87-73(108)75(5,6)90-66(101)54(78)33-49-36-80-39-82-49/h10-27,32,36,39,41-42,54-59,63-64,92-94H,9,28-31,33-35,37-38,78H2,1-8H3,(H2,79,100)(H,80,82)(H,81,102)(H,83,103)(H,84,104)(H,85,105)(H,86,106)(H,87,108)(H,88,95)(H,89,109)(H,90,101)(H,91,107)(H,96,97)(H,98,99)/t41-,42-,54+,55+,56+,57+,58+,59+,63+,64+,76+/m1/s1
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| InChIKey |
FQOJQWPQOOFFLK-SWNSGIGISA-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: PT01356, Glucagon-like peptide 1 receptor
Protein ID: PT05454, Glucagon-like peptide 1 receptor