General Information of the Compound
| Compound ID |
CP0499944
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| Compound Name |
1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]-4-phenylpiperidine-4-carboxamide
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| Structure |
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| Formula |
C29H24Cl2N6O
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| Molecular Weight |
543.458
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| Canonical SMILES |
NC(=O)C1(CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1)c1ccccc1
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| InChI |
InChI=1S/C29H24Cl2N6O/c30-20-10-12-21(13-11-20)37-25(22-8-4-5-9-23(22)31)35-24-26(33-18-34-27(24)37)36-16-14-29(15-17-36,28(32)38)19-6-2-1-3-7-19/h1-13,18H,14-17H2,(H2,32,38)
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| InChIKey |
NICTYBVLEDAXEJ-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