General Information of the Compound
| Compound ID |
CP0213038
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| Compound Name |
6-(4-chlorophenyl)-3-{[(3S)-1-isopropylpiperidin-3-yl]methyl}-2-methylquinazolin-4(3H)-one
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| Structure |
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| Formula |
C24H28ClN3O
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| Molecular Weight |
409.961
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| Canonical SMILES |
CC(C)N1CCC[C@H](Cn2c(C)nc3ccc(cc3c2=O)-c2ccc(Cl)cc2)C1
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| InChI |
InChI=1S/C24H28ClN3O/c1-16(2)27-12-4-5-18(14-27)15-28-17(3)26-23-11-8-20(13-22(23)24(28)29)19-6-9-21(25)10-7-19/h6-11,13,16,18H,4-5,12,14-15H2,1-3H3/t18-/m0/s1
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| InChIKey |
ARLXUYKHWSHMLR-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
Protein ID: PT01155, Growth hormone secretagogue receptor type 1
Protein ID: PT00610, Growth hormone secretagogue receptor type 1