General Information of the Compound
| Compound ID |
CP0397665
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| Compound Name |
2-(4-chloroanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
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| Structure |
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| Formula |
C16H16ClN3O
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| Molecular Weight |
301.777
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| Canonical SMILES |
CC1(C)CC(=O)c2cnc(Nc3ccc(Cl)cc3)nc2C1
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| InChI |
InChI=1S/C16H16ClN3O/c1-16(2)7-13-12(14(21)8-16)9-18-15(20-13)19-11-5-3-10(17)4-6-11/h3-6,9H,7-8H2,1-2H3,(H,18,19,20)
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| InChIKey |
SEHUTCGJEJEBDP-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