General Information of the Compound
| Compound ID |
CP0373357
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| Compound Name |
2-(3-ethyl-2-(piperidin-1-yl)-3,4-dihydroquinazolin-4-yl)-N-(4-(4-fluorophenylsulfonamido)benzyl)acetamide
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| Synonyms |
BDBM50251822
CHEMBL480968
KYS-05065
N-(4-(4-fluorophenylsulfonamido)benzyl)-2-(3-ethyl-2-(piperidin-1-yl)-3,4-dihydroquinazolin-4-yl)acetamide
SCHEMBL14417346
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| Structure |
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| Formula |
C30H34FN5O3S
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| Molecular Weight |
563.699
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| Canonical SMILES |
CCN1C(CC(=O)NCc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)c2ccccc2N=C1N1CCCCC1
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| InChI |
InChI=1S/C30H34FN5O3S/c1-2-36-28(26-8-4-5-9-27(26)33-30(36)35-18-6-3-7-19-35)20-29(37)32-21-22-10-14-24(15-11-22)34-40(38,39)25-16-12-23(31)13-17-25/h4-5,8-17,28,34H,2-3,6-7,18-21H2,1H3,(H,32,37)
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| InChIKey |
PEIFDCMYVCGNKX-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