General Information of the Compound
| Compound ID |
CP0541711
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| Compound Name |
2-[(1S)-1-amino-2-phenylethyl]-6-pyridin-4-yl-3H-quinazolin-4-one
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| Structure |
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| Formula |
C21H18N4O
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| Molecular Weight |
342.402
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| Canonical SMILES |
N[C@@H](Cc1ccccc1)c1nc2ccc(cc2c(=O)[nH]1)-c1ccncc1
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| InChI |
InChI=1S/C21H18N4O/c22-18(12-14-4-2-1-3-5-14)20-24-19-7-6-16(13-17(19)21(26)25-20)15-8-10-23-11-9-15/h1-11,13,18H,12,22H2,(H,24,25,26)/t18-/m0/s1
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| InChIKey |
VIOPPLALGHQJHU-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