General Information of the Compound
| Compound ID |
CP0186050
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| Compound Name |
2-[(1S)-1-amino-2-(4-methoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)-3H-quinazolin-4-one
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| Structure |
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| Formula |
C20H19N5O2
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| Molecular Weight |
361.405
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| Canonical SMILES |
COc1ccc(C[C@H](N)c2nc3ccc(cc3c(=O)[nH]2)-c2cn[nH]c2)cc1
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| InChI |
InChI=1S/C20H19N5O2/c1-27-15-5-2-12(3-6-15)8-17(21)19-24-18-7-4-13(14-10-22-23-11-14)9-16(18)20(26)25-19/h2-7,9-11,17H,8,21H2,1H3,(H,22,23)(H,24,25,26)/t17-/m0/s1
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| InChIKey |
IFSJHRROANUFFS-KRWDZBQOSA-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