General Information of the Compound
| Compound ID |
CP0049369
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| Compound Name |
4-(2-methyl-4-(6-morpholinopyrido[3,4-d]pyrimidin-4-ylamino)phenoxy)-N-neopentylbenzamide
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| Structure |
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| Formula |
C30H34N6O3
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| Molecular Weight |
526.641
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| Canonical SMILES |
Cc1cc(Nc2ncnc3cnc(cc23)N2CCOCC2)ccc1Oc1ccc(cc1)C(=O)NCC(C)(C)C
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| InChI |
InChI=1S/C30H34N6O3/c1-20-15-22(7-10-26(20)39-23-8-5-21(6-9-23)29(37)32-18-30(2,3)4)35-28-24-16-27(36-11-13-38-14-12-36)31-17-25(24)33-19-34-28/h5-10,15-17,19H,11-14,18H2,1-4H3,(H,32,37)(H,33,34,35)
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| InChIKey |
KKWBRQPIXLDPAR-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