General Information of the Compound
| Compound ID |
CP0454286
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| Compound Name |
2-({6-[bis(2-hydroxyethyl)amino]-4,8-bis(morpholin-4-yl)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 |
C22H36N8O6
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| Molecular Weight |
508.58
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| Canonical SMILES |
OCCN(CCO)c1nc(N2CCOCC2)c2nc(nc(N3CCOCC3)c2n1)N(CCO)CCO
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| InChI |
InChI=1S/C22H36N8O6/c31-9-1-29(2-10-32)21-23-17-18(19(25-21)27-5-13-35-14-6-27)24-22(30(3-11-33)4-12-34)26-20(17)28-7-15-36-16-8-28/h31-34H,1-16H2
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| InChIKey |
DTGJNCXRSGBFNE-UHFFFAOYSA-N
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| CAS |
16887-98-2
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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