General Information of the Compound
| Compound ID |
CP0513231
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| Compound Name |
2-[(1S)-1-amino-2-(3-fluorophenyl)ethyl]-8-methoxy-6-(1H-pyrazol-4-yl)-3H-quinazolin-4-one
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| Structure |
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| Formula |
C20H18FN5O2
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| Molecular Weight |
379.395
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| Canonical SMILES |
COc1cc(cc2c1nc([nH]c2=O)[C@@H](N)Cc1cccc(F)c1)-c1cn[nH]c1
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| InChI |
InChI=1S/C20H18FN5O2/c1-28-17-8-12(13-9-23-24-10-13)7-15-18(17)25-19(26-20(15)27)16(22)6-11-3-2-4-14(21)5-11/h2-5,7-10,16H,6,22H2,1H3,(H,23,24)(H,25,26,27)/t16-/m0/s1
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| InChIKey |
RVYJKUWZLONOCK-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