General Information of the Compound
| Compound ID |
CP0385182
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| Compound Name |
3-[(7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-3-[[(1R)-1-pyridin-2-ylethyl]carbamoyl]-4,6-dihydropyrazolo[4,3-c]pyridin-5-yl]-3-oxopropanoic acid
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| Structure |
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| Formula |
C31H27Cl2N5O5
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| Molecular Weight |
620.493
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| Canonical SMILES |
COc1ccc(\C=C2/CN(Cc3c(nn(c23)-c2ccc(Cl)cc2Cl)C(=O)N[C@H](C)c2ccccn2)C(=O)CC(O)=O)cc1
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| InChI |
InChI=1S/C31H27Cl2N5O5/c1-18(25-5-3-4-12-34-25)35-31(42)29-23-17-37(27(39)15-28(40)41)16-20(13-19-6-9-22(43-2)10-7-19)30(23)38(36-29)26-11-8-21(32)14-24(26)33/h3-14,18H,15-17H2,1-2H3,(H,35,42)(H,40,41)/b20-13+/t18-/m1/s1
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| InChIKey |
ONGMGQZMIUDISF-JZQBQCRLSA-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: PT01298, Cannabinoid receptor 1
Protein ID: PT00834, Cannabinoid receptor 2