General Information of the Compound
| Compound ID |
CP0507843
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| Compound Name |
2-[(1R)-1-amino-2-[3-(trifluoromethyl)phenyl]ethyl]-6-(1H-pyrazol-4-yl)-3H-quinazolin-4-one
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| Structure |
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| Formula |
C20H16F3N5O
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| Molecular Weight |
399.376
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| Canonical SMILES |
N[C@H](Cc1cccc(c1)C(F)(F)F)c1nc2ccc(cc2c(=O)[nH]1)-c1cn[nH]c1
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| InChI |
InChI=1S/C20H16F3N5O/c21-20(22,23)14-3-1-2-11(6-14)7-16(24)18-27-17-5-4-12(13-9-25-26-10-13)8-15(17)19(29)28-18/h1-6,8-10,16H,7,24H2,(H,25,26)(H,27,28,29)/t16-/m1/s1
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| InChIKey |
MZNGIVDQGHKNNT-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