General Information of the Compound
| Compound ID |
CP0935440
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| Compound Name |
4-(3-Chloroanilino)-7-methoxy-6-{[1-(N-methylcarbamoylmethyl)piperidin-4-yl]oxy}quinazoline
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| Structure |
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| Formula |
C23H26ClN5O3
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| Molecular Weight |
455.946
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| Canonical SMILES |
CNC(=O)CN1CCC(Oc2cc3c(Nc4cccc(Cl)c4)ncnc3cc2OC)CC1
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| InChI |
InChI=1S/C23H26ClN5O3/c1-25-22(30)13-29-8-6-17(7-9-29)32-21-11-18-19(12-20(21)31-2)26-14-27-23(18)28-16-5-3-4-15(24)10-16/h3-5,10-12,14,17H,6-9,13H2,1-2H3,(H,25,30)(H,26,27,28)
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| InChIKey |
BXTOOTSRYZITQN-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