General Information of the Compound
| Compound ID |
CP0322413
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| Compound Name |
arylpyrazole, 31
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| Structure |
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| Formula |
C21H22ClF2N5
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| Molecular Weight |
417.891
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| Canonical SMILES |
Cc1c(CN[C@H]2CC[C@@H](F)C2)nn(c1-c1cnc(C)c(F)c1)-c1ncccc1Cl
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| InChI |
InChI=1S/C21H22ClF2N5/c1-12-19(11-27-16-6-5-15(23)9-16)28-29(21-17(22)4-3-7-25-21)20(12)14-8-18(24)13(2)26-10-14/h3-4,7-8,10,15-16,27H,5-6,9,11H2,1-2H3/t15-,16+/m1/s1
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| InChIKey |
CTNODSDKBPJKAA-CVEARBPZSA-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: PT00983, Kappa-type opioid receptor
Protein ID: PT01515, Mu-type opioid receptor
Protein ID: PT01360, Nociceptin receptor
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2