General Information of the Compound
| Compound ID |
CP0522644
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| Compound Name |
2-({6-[bis(2-hydroxyethyl)amino]-4,8-bis(propylamino)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 |
C20H36N8O4
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| Molecular Weight |
452.56
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| Canonical SMILES |
CCCNc1nc(nc2c(NCCC)nc(nc12)N(CCO)CCO)N(CCO)CCO
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| InChI |
InChI=1S/C20H36N8O4/c1-3-5-21-17-15-16(24-19(25-17)27(7-11-29)8-12-30)18(22-6-4-2)26-20(23-15)28(9-13-31)10-14-32/h29-32H,3-14H2,1-2H3,(H,21,24,25)(H,22,23,26)
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| InChIKey |
SCRCUWPMDRPUKB-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