General Information of the Compound
| Compound ID |
CP0445463
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| Compound Name |
benzyl 2-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3-(4-phenylphenyl)-4H-quinazolin-4-yl]acetate
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| Structure |
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| Formula |
C37H41N5O2
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| Molecular Weight |
587.768
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| Canonical SMILES |
CN(C)CCN1CCN(CC1)C1=Nc2ccccc2C(CC(=O)OCc2ccccc2)N1c1ccc(cc1)-c1ccccc1
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| InChI |
InChI=1S/C37H41N5O2/c1-39(2)21-22-40-23-25-41(26-24-40)37-38-34-16-10-9-15-33(34)35(27-36(43)44-28-29-11-5-3-6-12-29)42(37)32-19-17-31(18-20-32)30-13-7-4-8-14-30/h3-20,35H,21-28H2,1-2H3
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| InChIKey |
SLTCXVQIICRRLH-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