General Information of the Compound
| Compound ID |
CP0469338
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| Compound Name |
N-benzyl-2-[3-(4-cyclohexylphenyl)-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-4H-quinazolin-4-yl]acetamide;hydrochloride
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| Structure |
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| Formula |
C37H49ClN6O
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| Molecular Weight |
629.293
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| Canonical SMILES |
Cl.CN(C)CCN1CCN(CC1)C1=Nc2ccccc2C(CC(=O)NCc2ccccc2)N1c1ccc(cc1)C1CCCCC1
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| InChI |
InChI=1S/C37H48N6O.ClH/c1-40(2)21-22-41-23-25-42(26-24-41)37-39-34-16-10-9-15-33(34)35(27-36(44)38-28-29-11-5-3-6-12-29)43(37)32-19-17-31(18-20-32)30-13-7-4-8-14-30;/h3,5-6,9-12,15-20,30,35H,4,7-8,13-14,21-28H2,1-2H3,(H,38,44);1H
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| InChIKey |
PYBCDFLCZQRJLW-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