General Information of the Compound
| Compound ID |
CP0406560
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| Compound Name |
4-(2-methyl-4-(6-(methylamino)pyrido[3,4-d]pyrimidin-4-ylamino)phenoxy)-N-neopentylbenzamide
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| Structure |
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| Formula |
C27H30N6O2
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| Molecular Weight |
470.577
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| Canonical SMILES |
CNc1cc2c(Nc3ccc(Oc4ccc(cc4)C(=O)NCC(C)(C)C)c(C)c3)ncnc2cn1
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| InChI |
InChI=1S/C27H30N6O2/c1-17-12-19(33-25-21-13-24(28-5)29-14-22(21)31-16-32-25)8-11-23(17)35-20-9-6-18(7-10-20)26(34)30-15-27(2,3)4/h6-14,16H,15H2,1-5H3,(H,28,29)(H,30,34)(H,31,32,33)
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| InChIKey |
HFCKWFKRRWAJNF-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