General Information of the Compound
| Compound ID |
CP0653199
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| Compound Name |
N-(5-(3,5-Dimethoxyphenethyl)-1H-pyrazol-3-yl)quinazolin-4-amine
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| Structure |
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| Formula |
C21H21N5O2
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| Molecular Weight |
375.432
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| Canonical SMILES |
COc1cc(CCc2cc(Nc3ncnc4ccccc34)n[nH]2)cc(OC)c1
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| InChI |
InChI=1S/C21H21N5O2/c1-27-16-9-14(10-17(12-16)28-2)7-8-15-11-20(26-25-15)24-21-18-5-3-4-6-19(18)22-13-23-21/h3-6,9-13H,7-8H2,1-2H3,(H2,22,23,24,25,26)
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| InChIKey |
NDANRXVNOIYRFQ-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