General Information of the Compound
| Compound ID |
CP0399985
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| Compound Name |
2-({6-[bis(2-hydroxyethyl)amino]-4,8-bis(dimethylamino)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 |
C18H32N8O4
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| Molecular Weight |
424.506
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| Canonical SMILES |
CN(C)c1nc(nc2c(nc(nc12)N(CCO)CCO)N(C)C)N(CCO)CCO
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| InChI |
InChI=1S/C18H32N8O4/c1-23(2)15-13-14(20-17(21-15)25(5-9-27)6-10-28)16(24(3)4)22-18(19-13)26(7-11-29)8-12-30/h27-30H,5-12H2,1-4H3
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| InChIKey |
DSXWYDOIBJBCKJ-UHFFFAOYSA-N
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| CAS |
29491-68-7
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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