General Information of the Compound
| Compound ID |
CP0847927
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| Compound Name |
N-[(1S,2R)-2-({2-[(4-Chlorophenyl)carbonyl]amino-6-methylquinazolin-4-yl}amino)cyclohexyl]guanidine dihydrochloride
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| Structure |
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| Formula |
C23H29Cl4N7O
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| Molecular Weight |
561.345
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| Canonical SMILES |
Cc1ccc2nc(NC(=O)c3ccc(Cl)cc3)nc(N[C@H]3CCCC[C@H]3NC(=N)N)c2c1.Cl.Cl.Cl
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| InChI |
InChI=1S/C23H26ClN7O.3ClH/c1-13-6-11-17-16(12-13)20(27-18-4-2-3-5-19(18)28-22(25)26)30-23(29-17)31-21(32)14-7-9-15(24)10-8-14;;;/h6-12,18-19H,2-5H2,1H3,(H4,25,26,28)(H2,27,29,30,31,32);3*1H/t18-,19+;;;/m0.../s1
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| InChIKey |
YELZMCGXJMUQHM-SCGPDRHWSA-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: PT01526, Delta-type opioid receptor
Protein ID: PT01460, Kappa-type opioid receptor
Protein ID: PT01515, Mu-type opioid receptor