General Information of the Compound
| Compound ID |
CP0517583
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| Compound Name |
tert-butyl 4-[[4-(4-methylsulfonylanilino)pyrimido[5,4-d]pyrimidin-8-yl]amino]piperidine-1-carboxylate
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| Structure |
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| Formula |
C23H29N7O4S
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| Molecular Weight |
499.597
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CCC(CC1)Nc1ncnc2c(Nc3ccc(cc3)S(C)(=O)=O)ncnc12
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| InChI |
InChI=1S/C23H29N7O4S/c1-23(2,3)34-22(31)30-11-9-16(10-12-30)29-21-19-18(24-14-27-21)20(26-13-25-19)28-15-5-7-17(8-6-15)35(4,32)33/h5-8,13-14,16H,9-12H2,1-4H3,(H,24,27,29)(H,25,26,28)
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| InChIKey |
NKKRTNPGVGPZRI-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