General Information of the Compound
| Compound ID |
CP0485427
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| Compound Name |
2-[3-(5-aminopentyl)-2-anilino-4H-quinazolin-4-yl]-N-benzylacetamide
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| Structure |
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| Formula |
C28H33N5O
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| Molecular Weight |
455.606
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| Canonical SMILES |
NCCCCCN1C(CC(=O)NCc2ccccc2)c2ccccc2N=C1Nc1ccccc1
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| InChI |
InChI=1S/C28H33N5O/c29-18-10-3-11-19-33-26(20-27(34)30-21-22-12-4-1-5-13-22)24-16-8-9-17-25(24)32-28(33)31-23-14-6-2-7-15-23/h1-2,4-9,12-17,26H,3,10-11,18-21,29H2,(H,30,34)(H,31,32)
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| InChIKey |
LOBBMJWQUWSUHA-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