General Information of the Compound
| Compound ID |
CP0405138
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| Compound Name |
4-{7-[3-(4,4-Difluoro-piperidin-1-yl)-propoxy]-6-methoxy-quinazolin-4-yl}-piperazine-1-carboxylic acid (4-isopropoxy-phenyl)-amide
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| Structure |
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| Formula |
C31H40F2N6O4
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| Molecular Weight |
598.695
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| Canonical SMILES |
COc1cc2c(ncnc2cc1OCCCN1CCC(F)(F)CC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1
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| InChI |
InChI=1S/C31H40F2N6O4/c1-22(2)43-24-7-5-23(6-8-24)36-30(40)39-16-14-38(15-17-39)29-25-19-27(41-3)28(20-26(25)34-21-35-29)42-18-4-11-37-12-9-31(32,33)10-13-37/h5-8,19-22H,4,9-18H2,1-3H3,(H,36,40)
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| InChIKey |
CQEMIFOSYJYIJV-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