General Information of the Compound
| Compound ID |
CP0413737
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| Compound Name |
1-[[5-(4-chloro-3-methylphenyl)-1-[(4-methylphenyl)methyl]pyrrol-3-yl]methyl]-4-(4-chlorophenyl)piperazine
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| Structure |
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| Formula |
C30H31Cl2N3
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| Molecular Weight |
504.505
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| Canonical SMILES |
Cc1ccc(Cn2cc(CN3CCN(CC3)c3ccc(Cl)cc3)cc2-c2ccc(Cl)c(C)c2)cc1
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| InChI |
InChI=1S/C30H31Cl2N3/c1-22-3-5-24(6-4-22)20-35-21-25(18-30(35)26-7-12-29(32)23(2)17-26)19-33-13-15-34(16-14-33)28-10-8-27(31)9-11-28/h3-12,17-18,21H,13-16,19-20H2,1-2H3
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| InChIKey |
DCFVTADSSVUZAM-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