General Information of the Compound
| Compound ID |
CP0558437
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| Compound Name |
2-[(1S)-1-amino-2-(4-ethoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)-3H-quinazolin-4-one
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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 |
CCOc1ccc(C[C@H](N)c2nc3ccc(cc3c(=O)[nH]2)-c2cn[nH]c2)cc1
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| InChI |
InChI=1S/C21H21N5O2/c1-2-28-16-6-3-13(4-7-16)9-18(22)20-25-19-8-5-14(15-11-23-24-12-15)10-17(19)21(27)26-20/h3-8,10-12,18H,2,9,22H2,1H3,(H,23,24)(H,25,26,27)/t18-/m0/s1
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| InChIKey |
QHVMZZJEOAIYCY-SFHVURJKSA-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