General Information of the Compound
| Compound ID |
CP0155592
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| Compound Name |
(2R)-2-[8-(2-chlorophenyl)-2-methyl-6-(4-methylpiperazin-1-yl)purin-9-yl]propan-1-ol
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| Structure |
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| Formula |
C20H25ClN6O
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| Molecular Weight |
400.914
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| Canonical SMILES |
C[C@H](CO)n1c(nc2c(nc(C)nc12)N1CCN(C)CC1)-c1ccccc1Cl
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| InChI |
InChI=1S/C20H25ClN6O/c1-13(12-28)27-18(15-6-4-5-7-16(15)21)24-17-19(22-14(2)23-20(17)27)26-10-8-25(3)9-11-26/h4-7,13,28H,8-12H2,1-3H3/t13-/m1/s1
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| InChIKey |
CHHAVMUCQABXCB-CYBMUJFWSA-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