General Information of the Compound
| Compound ID |
CP0558436
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| Compound Name |
2-[(1S)-1-amino-2-(3,4-dimethoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)-3H-quinazolin-4-one
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| Structure |
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| Formula |
C21H21N5O3
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| Molecular Weight |
391.431
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| Canonical SMILES |
COc1ccc(C[C@H](N)c2nc3ccc(cc3c(=O)[nH]2)-c2cn[nH]c2)cc1OC
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| InChI |
InChI=1S/C21H21N5O3/c1-28-18-6-3-12(8-19(18)29-2)7-16(22)20-25-17-5-4-13(14-10-23-24-11-14)9-15(17)21(27)26-20/h3-6,8-11,16H,7,22H2,1-2H3,(H,23,24)(H,25,26,27)/t16-/m0/s1
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| InChIKey |
GBCXUWILZAHWQL-INIZCTEOSA-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