General Information of the Compound
| Compound ID |
CP0457794
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| Compound Name |
2-({6-[bis(2-hydroxyethyl)amino]-4,8-bis(cyclobutylamino)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 |
C22H36N8O4
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| Molecular Weight |
476.582
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| Canonical SMILES |
OCCN(CCO)c1nc(NC2CCC2)c2nc(nc(NC3CCC3)c2n1)N(CCO)CCO
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| InChI |
InChI=1S/C22H36N8O4/c31-11-7-29(8-12-32)21-26-18-17(19(27-21)23-15-3-1-4-15)25-22(30(9-13-33)10-14-34)28-20(18)24-16-5-2-6-16/h15-16,31-34H,1-14H2,(H,23,26,27)(H,24,25,28)
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| InChIKey |
PXJLJWNVARANOO-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