General Information of the Compound
| Compound ID |
CP0513229
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| Compound Name |
2-[(1R)-1-amino-2-(3,4-difluorophenyl)ethyl]-6-(1H-pyrazol-4-yl)-3H-quinazolin-4-one
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| Structure |
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| Formula |
C19H15F2N5O
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| Molecular Weight |
367.359
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| Canonical SMILES |
N[C@H](Cc1ccc(F)c(F)c1)c1nc2ccc(cc2c(=O)[nH]1)-c1cn[nH]c1
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| InChI |
InChI=1S/C19H15F2N5O/c20-14-3-1-10(5-15(14)21)6-16(22)18-25-17-4-2-11(12-8-23-24-9-12)7-13(17)19(27)26-18/h1-5,7-9,16H,6,22H2,(H,23,24)(H,25,26,27)/t16-/m1/s1
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| InChIKey |
XIABLTGVFHRZRR-MRXNPFEDSA-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