General Information of the Compound
| Compound ID |
CP0127883
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| Compound Name |
2-[(1S)-1-amino-2-(4-fluorophenyl)ethyl]-6-(1H-pyrazol-4-yl)-3H-quinazolin-4-one
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| Structure |
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| Formula |
C19H16FN5O
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| Molecular Weight |
349.369
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| Canonical SMILES |
N[C@@H](Cc1ccc(F)cc1)c1nc2ccc(cc2c(=O)[nH]1)-c1cn[nH]c1
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| InChI |
InChI=1S/C19H16FN5O/c20-14-4-1-11(2-5-14)7-16(21)18-24-17-6-3-12(13-9-22-23-10-13)8-15(17)19(26)25-18/h1-6,8-10,16H,7,21H2,(H,22,23)(H,24,25,26)/t16-/m0/s1
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| InChIKey |
BSULSXCQOXQGND-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