General Information of the Compound
| Compound ID |
CP0422480
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| Compound Name |
5-(4-chloro-3-methylphenyl)-N-[[(1S,2R)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]-1-[(4-methylphenyl)methyl]pyrrole-3-carboxamide
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| Structure |
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| Formula |
C30H35ClN2O
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| Molecular Weight |
475.076
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| Canonical SMILES |
Cc1ccc(Cn2cc(cc2-c2ccc(Cl)c(C)c2)C(=O)NC[C@@H]2CCC3C[C@@H]2C3(C)C)cc1
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| InChI |
InChI=1S/C30H35ClN2O/c1-19-5-7-21(8-6-19)17-33-18-24(14-28(33)22-10-12-27(31)20(2)13-22)29(34)32-16-23-9-11-25-15-26(23)30(25,3)4/h5-8,10,12-14,18,23,25-26H,9,11,15-17H2,1-4H3,(H,32,34)/t23-,25?,26-/m0/s1
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| InChIKey |
YJOBSOWAXPPJPA-RRLIAEKXSA-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