General Information of the Compound
| Compound ID |
CP0409559
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| Compound Name |
(3-Phenyl-2-piperidin-1-yl-3,4-dihydro-quinazolin-4-yl)-acetic acid methyl ester
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| Structure |
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| Formula |
C22H25N3O2
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| Molecular Weight |
363.461
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| Canonical SMILES |
COC(=O)CC1N(C(=Nc2ccccc12)N1CCCCC1)c1ccccc1
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| InChI |
InChI=1S/C22H25N3O2/c1-27-21(26)16-20-18-12-6-7-13-19(18)23-22(24-14-8-3-9-15-24)25(20)17-10-4-2-5-11-17/h2,4-7,10-13,20H,3,8-9,14-16H2,1H3
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| InChIKey |
KJQOEXRCADXDKA-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