General Information of the Compound
| Compound ID |
CP0472557
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| Compound Name |
4-N-[6-[bis(4-chlorophenyl)methyl]cinnolin-4-yl]-1-N-phenylcyclohexane-1,4-diamine
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| Formula |
C33H30Cl2N4
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| Molecular Weight |
553.537
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| Canonical SMILES |
Clc1ccc(cc1)C(c1ccc(Cl)cc1)c1ccc2nncc(NC3CCC(CC3)Nc3ccccc3)c2c1
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| InChI |
InChI=1S/C33H30Cl2N4/c34-25-11-6-22(7-12-25)33(23-8-13-26(35)14-9-23)24-10-19-31-30(20-24)32(21-36-39-31)38-29-17-15-28(16-18-29)37-27-4-2-1-3-5-27/h1-14,19-21,28-29,33,37H,15-18H2,(H,38,39)
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| InChIKey |
NQSYNOBJGHEEQR-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