General Information of the Compound
| Compound ID |
CP0529746
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| Compound Name |
4-(2-methyl-4-(6-(2-morpholinoethylamino)pyrido[3,4-d]pyrimidin-4-ylamino)phenoxy)-N-neopentylbenzamide
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| Structure |
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| Formula |
C32H39N7O3
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| Molecular Weight |
569.71
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| Canonical SMILES |
Cc1cc(Nc2ncnc3cnc(NCCN4CCOCC4)cc23)ccc1Oc1ccc(cc1)C(=O)NCC(C)(C)C
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| InChI |
InChI=1S/C32H39N7O3/c1-22-17-24(7-10-28(22)42-25-8-5-23(6-9-25)31(40)35-20-32(2,3)4)38-30-26-18-29(34-19-27(26)36-21-37-30)33-11-12-39-13-15-41-16-14-39/h5-10,17-19,21H,11-16,20H2,1-4H3,(H,33,34)(H,35,40)(H,36,37,38)
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| InChIKey |
HQCWJTWXBIUKSY-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