General Information of the Compound
| Compound ID |
CP0457798
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| Compound Name |
2-({6-[bis(2-hydroxyethyl)amino]-4,8-bis(cyclopropylamino)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 |
C20H32N8O4
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| Molecular Weight |
448.528
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| Canonical SMILES |
OCCN(CCO)c1nc(NC2CC2)c2nc(nc(NC3CC3)c2n1)N(CCO)CCO
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| InChI |
InChI=1S/C20H32N8O4/c29-9-5-27(6-10-30)19-24-16-15(17(25-19)21-13-1-2-13)23-20(28(7-11-31)8-12-32)26-18(16)22-14-3-4-14/h13-14,29-32H,1-12H2,(H,21,24,25)(H,22,23,26)
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| InChIKey |
DLLWSTUUSIBHQS-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