General Information of the Compound
| Compound ID |
CP0468430
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| Compound Name |
[4-[1-[4-(4-chloroanilino)-6,7-dimethoxyquinazolin-2-yl]piperidin-4-yl]morpholin-2-yl]methanol
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| Structure |
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| Formula |
C26H32ClN5O4
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| Molecular Weight |
514.026
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| Canonical SMILES |
COc1cc2nc(nc(Nc3ccc(Cl)cc3)c2cc1OC)N1CCC(CC1)N1CCOC(CO)C1
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| InChI |
InChI=1S/C26H32ClN5O4/c1-34-23-13-21-22(14-24(23)35-2)29-26(30-25(21)28-18-5-3-17(27)4-6-18)31-9-7-19(8-10-31)32-11-12-36-20(15-32)16-33/h3-6,13-14,19-20,33H,7-12,15-16H2,1-2H3,(H,28,29,30)
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| InChIKey |
JHZGCUVRJZBRDR-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