General Information of the Compound
| Compound ID |
CP0522653
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| Compound Name |
2-({6-[bis(2-hydroxyethyl)amino]-4,8-bis[(3-methylbutyl)amino]pyrimido[5,4-d][1,3]diazin-2-yl}(2-hydroxyethyl)amino)ethan-1-ol
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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 |
CC(C)CCNc1nc(nc2c(NCCC(C)C)nc(nc12)N(CCO)CCO)N(CCO)CCO
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| InChI |
InChI=1S/C24H44N8O4/c1-17(2)5-7-25-21-19-20(28-23(29-21)31(9-13-33)10-14-34)22(26-8-6-18(3)4)30-24(27-19)32(11-15-35)12-16-36/h17-18,33-36H,5-16H2,1-4H3,(H,25,28,29)(H,26,27,30)
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| InChIKey |
ORRUMOVCSSNPRA-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