General Information of the Compound
| Compound ID |
CP0373259
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| Compound Name |
N-benzyl-2-[2-[methyl(5-pyrrolidin-1-ylpentyl)amino]-3-phenyl-4H-quinazolin-4-yl]acetamide
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| Synonyms |
BDBM50005356
BDBM50197241
CHEMBL393304
KYS-05077
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| Structure |
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| Formula |
C33H41N5O
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| Molecular Weight |
523.725
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| Canonical SMILES |
CN(CCCCCN1CCCC1)C1=Nc2ccccc2C(CC(=O)NCc2ccccc2)N1c1ccccc1
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| InChI |
InChI=1S/C33H41N5O/c1-36(21-11-4-12-22-37-23-13-14-24-37)33-35-30-20-10-9-19-29(30)31(38(33)28-17-7-3-8-18-28)25-32(39)34-26-27-15-5-2-6-16-27/h2-3,5-10,15-20,31H,4,11-14,21-26H2,1H3,(H,34,39)
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| InChIKey |
DKHAGFIMNLTLHC-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