General Information of the Compound
| Compound ID |
CP0413739
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| Compound Name |
[5-(4-chloro-3-methylphenyl)-1-[(4-methylphenyl)methyl]pyrrol-3-yl]-[4-(2-chlorophenyl)piperazin-1-yl]methanone
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| Structure |
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| Formula |
C30H29Cl2N3O
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| Molecular Weight |
518.488
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| Canonical SMILES |
Cc1ccc(Cn2cc(cc2-c2ccc(Cl)c(C)c2)C(=O)N2CCN(CC2)c2ccccc2Cl)cc1
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| InChI |
InChI=1S/C30H29Cl2N3O/c1-21-7-9-23(10-8-21)19-35-20-25(18-29(35)24-11-12-26(31)22(2)17-24)30(36)34-15-13-33(14-16-34)28-6-4-3-5-27(28)32/h3-12,17-18,20H,13-16,19H2,1-2H3
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| InChIKey |
XGCXGZFEDZXWKK-UHFFFAOYSA-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