General Information of the Compound
| Compound ID |
CP0373356
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| Compound Name |
2-(3-ethyl-2-(piperidin-1-yl)-3,4-dihydroquinazolin-4-yl)-N-(4-(4-methylphenylsulfonamido)benzyl)acetamide
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| Synonyms |
2-(3-ethyl-2-(piperidin-1-yl)-3,4-dihydroquinazolin-4-yl)-N-(4-(4-methylphenylsulfonamido)benzyl)acetamide
BDBM50192101
CHEMBL217660
KYS-05064
SCHEMBL14417343
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| Structure |
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| Formula |
C31H37N5O3S
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| Molecular Weight |
559.736
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| Canonical SMILES |
CCN1C(CC(=O)NCc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)c2ccccc2N=C1N1CCCCC1
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| InChI |
InChI=1S/C31H37N5O3S/c1-3-36-29(27-9-5-6-10-28(27)33-31(36)35-19-7-4-8-20-35)21-30(37)32-22-24-13-15-25(16-14-24)34-40(38,39)26-17-11-23(2)12-18-26/h5-6,9-18,29,34H,3-4,7-8,19-22H2,1-2H3,(H,32,37)
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| InChIKey |
AAULUGZZFCAQJP-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
Clinical Information about the Compound