General Information of the Compound
| Compound ID |
CP0408655
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| Compound Name |
N-benzyl-2-[2-[6-(dimethylamino)hexyl-methylamino]-3-(4-phenylphenyl)-4H-quinazolin-4-yl]acetamide
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| Structure |
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| Formula |
C38H45N5O
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| Molecular Weight |
587.812
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| Canonical SMILES |
CN(C)CCCCCCN(C)C1=Nc2ccccc2C(CC(=O)NCc2ccccc2)N1c1ccc(cc1)-c1ccccc1
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| InChI |
InChI=1S/C38H45N5O/c1-41(2)26-14-4-5-15-27-42(3)38-40-35-21-13-12-20-34(35)36(28-37(44)39-29-30-16-8-6-9-17-30)43(38)33-24-22-32(23-25-33)31-18-10-7-11-19-31/h6-13,16-25,36H,4-5,14-15,26-29H2,1-3H3,(H,39,44)
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| InChIKey |
ZXIIEFDPYXNFCM-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