General Information of the Compound
| Compound ID |
CP0474119
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| Compound Name |
2-[(1R)-2-(4-chlorophenyl)-1-(ethylamino)ethyl]-6-(1H-pyrazol-4-yl)-3H-quinazolin-4-one
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| Structure |
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| Formula |
C21H20ClN5O
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| Molecular Weight |
393.878
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| Canonical SMILES |
CCN[C@H](Cc1ccc(Cl)cc1)c1nc2ccc(cc2c(=O)[nH]1)-c1cn[nH]c1
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| InChI |
InChI=1S/C21H20ClN5O/c1-2-23-19(9-13-3-6-16(22)7-4-13)20-26-18-8-5-14(15-11-24-25-12-15)10-17(18)21(28)27-20/h3-8,10-12,19,23H,2,9H2,1H3,(H,24,25)(H,26,27,28)/t19-/m1/s1
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| InChIKey |
AEJOTVGHCRQIAC-LJQANCHMSA-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