General Information of the Compound
| Compound ID |
CP0491782
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| Compound Name |
2-(3-chloroanilino)-7,8-dihydro-6H-quinazolin-5-one
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| Structure |
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| Formula |
C14H12ClN3O
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| Molecular Weight |
273.723
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| Canonical SMILES |
Clc1cccc(Nc2ncc3C(=O)CCCc3n2)c1
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| InChI |
InChI=1S/C14H12ClN3O/c15-9-3-1-4-10(7-9)17-14-16-8-11-12(18-14)5-2-6-13(11)19/h1,3-4,7-8H,2,5-6H2,(H,16,17,18)
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| InChIKey |
PSIUKUAVWWOLJH-UHFFFAOYSA-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
Protein ID: PT01362, Amine oxidase [flavin-containing] B
Protein ID: PT00854, Metabotropic glutamate receptor 5