General Information of the Compound
| Compound ID |
CP0872982
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| Compound Name |
2,6-bis(diethanolamino)-4,8-di(tert-amylamino)pyrimido[5,4-d]pyrimidine
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| Structure |
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| Formula |
C24H44N8O4
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| Molecular Weight |
508.668
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| Canonical SMILES |
CCC(C)(C)Nc1nc(N(CCO)CCO)nc2c(NC(C)(C)CC)nc(N(CCO)CCO)nc12
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| InChI |
InChI=1S/C24H44N8O4/c1-7-23(3,4)29-19-17-18(26-21(27-19)31(9-13-33)10-14-34)20(30-24(5,6)8-2)28-22(25-17)32(11-15-35)12-16-36/h33-36H,7-16H2,1-6H3,(H,26,27,29)(H,25,28,30)
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| InChIKey |
KTWKEXBIHBKOTP-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