General Information of the Compound
| Compound ID |
CP0420024
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| Compound Name |
methyl 2-[3-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]-2-(4-phenylanilino)-4H-quinazolin-4-yl]acetate
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| Structure |
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| Formula |
C33H40N4O4
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| Molecular Weight |
556.707
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| Canonical SMILES |
COC(=O)CC1N(CCCCCNC(=O)OC(C)(C)C)C(Nc2ccc(cc2)-c2ccccc2)=Nc2ccccc12
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| InChI |
InChI=1S/C33H40N4O4/c1-33(2,3)41-32(39)34-21-11-6-12-22-37-29(23-30(38)40-4)27-15-9-10-16-28(27)36-31(37)35-26-19-17-25(18-20-26)24-13-7-5-8-14-24/h5,7-10,13-20,29H,6,11-12,21-23H2,1-4H3,(H,34,39)(H,35,36)
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| InChIKey |
HMTFDPAABQXYFW-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