General Information of the Compound
| Compound ID |
CP0446805
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| Compound Name |
3-[[4-[(1S)-1-[3-(3-chloro-5-propoxyphenyl)-5-(6-methoxynaphthalen-2-yl)pyrazol-1-yl]ethyl]benzoyl]amino]propanoic acid
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| Structure |
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| Formula |
C35H34ClN3O5
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| Molecular Weight |
612.126
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| Canonical SMILES |
CCCOc1cc(Cl)cc(c1)-c1cc(-c2ccc3cc(OC)ccc3c2)n(n1)[C@@H](C)c1ccc(cc1)C(=O)NCCC(O)=O
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| InChI |
InChI=1S/C35H34ClN3O5/c1-4-15-44-31-19-28(17-29(36)20-31)32-21-33(27-10-9-26-18-30(43-3)12-11-25(26)16-27)39(38-32)22(2)23-5-7-24(8-6-23)35(42)37-14-13-34(40)41/h5-12,16-22H,4,13-15H2,1-3H3,(H,37,42)(H,40,41)/t22-/m0/s1
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| InChIKey |
SMMALWVNYOQSQD-QFIPXVFZSA-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: PT02242, Gastric inhibitory polypeptide receptor
Protein ID: PT01473, Glucagon receptor