General Information of the Compound
| Compound ID |
CP0457359
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| Compound Name |
2-[2-[5-(dimethylamino)pentyl-methylamino]-3-(4-phenylphenyl)-4H-quinazolin-4-yl]-N-[(4-methoxyphenyl)methyl]acetamide
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| Structure |
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| Formula |
C38H45N5O2
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| Molecular Weight |
603.811
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| Canonical SMILES |
COc1ccc(CNC(=O)CC2N(C(=Nc3ccccc23)N(C)CCCCCN(C)C)c2ccc(cc2)-c2ccccc2)cc1
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| InChI |
InChI=1S/C38H45N5O2/c1-41(2)25-11-6-12-26-42(3)38-40-35-16-10-9-15-34(35)36(27-37(44)39-28-29-17-23-33(45-4)24-18-29)43(38)32-21-19-31(20-22-32)30-13-7-5-8-14-30/h5,7-10,13-24,36H,6,11-12,25-28H2,1-4H3,(H,39,44)
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| InChIKey |
PVTQXYSLRQKPEP-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