General Information of the Compound
| Compound ID |
CP0434526
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| Compound Name |
3-[1-(3,4-dichlorophenyl)-4,4-dimethyl-7-(2-methyloctan-2-yl)chromeno[4,3-c]pyrazol-9-yl]oxypropan-1-ol
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| Structure |
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| Formula |
C30H38Cl2N2O3
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| Molecular Weight |
545.551
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| Canonical SMILES |
CCCCCCC(C)(C)c1cc(OCCCO)c2-c3c(cnn3-c3ccc(Cl)c(Cl)c3)C(C)(C)Oc2c1
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| InChI |
InChI=1S/C30H38Cl2N2O3/c1-6-7-8-9-13-29(2,3)20-16-25(36-15-10-14-35)27-26(17-20)37-30(4,5)22-19-33-34(28(22)27)21-11-12-23(31)24(32)18-21/h11-12,16-19,35H,6-10,13-15H2,1-5H3
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| InChIKey |
PMWGFRTZIWWIKE-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