General Information of the Compound
| Compound ID |
CP0905363
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| Compound Name |
4-(4-(benzyloxy)phenyl)-5-methyl-1H-pyrazol-3-amine
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| Structure |
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| Formula |
C17H17N3O
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| Molecular Weight |
279.343
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| Canonical SMILES |
Cc1[nH]nc(N)c1-c1ccc(OCc2ccccc2)cc1
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| InChI |
InChI=1S/C17H17N3O/c1-12-16(17(18)20-19-12)14-7-9-15(10-8-14)21-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H3,18,19,20)
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| InChIKey |
XPTHLSJTKROIHD-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: PT00877, Inhibitor of nuclear factor kappa-B kinase subunit beta
Protein ID: PT01072, Inhibitor of nuclear factor kappa-B kinase subunit epsilon
Protein ID: PT03652, Mitogen-activated protein kinase kinase kinase 14