General Information of the Compound
| Compound ID |
CP0471915
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| Compound Name |
6-chloro-5-methyl-1-[(4-methylphenyl)methyl]-N-[(1S,2S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-4H-indeno[1,2-b]pyrrole-3-carboxamide
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| Structure |
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| Formula |
C31H35ClN2O
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| Molecular Weight |
487.087
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| Canonical SMILES |
Cc1ccc(Cn2cc(C(=O)N[C@@H]3C(C)(C)C4CC[C@@]3(C)C4)c3Cc4c(ccc(Cl)c4C)-c23)cc1
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| InChI |
InChI=1S/C31H35ClN2O/c1-18-6-8-20(9-7-18)16-34-17-25(24-14-23-19(2)26(32)11-10-22(23)27(24)34)28(35)33-29-30(3,4)21-12-13-31(29,5)15-21/h6-11,17,21,29H,12-16H2,1-5H3,(H,33,35)/t21?,29-,31+/m1/s1
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| InChIKey |
YSFWVUDJACXIRG-VEBGKWJASA-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