General Information of the Compound
| Compound ID |
CP0463217
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| Compound Name |
2-{[4,8-bis(butylamino)-6-[(2-hydroxyethyl)amino]pyrimido[5,4-d][1,3]diazin-2-yl]amino}ethan-1-ol
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| Structure |
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| Formula |
C18H32N8O2
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| Molecular Weight |
392.508
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| Canonical SMILES |
CCCCNc1nc(NCCO)nc2c(NCCCC)nc(NCCO)nc12
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| InChI |
InChI=1S/C18H32N8O2/c1-3-5-7-19-15-13-14(24-17(25-15)21-9-11-27)16(20-8-6-4-2)26-18(23-13)22-10-12-28/h27-28H,3-12H2,1-2H3,(H2,19,21,24,25)(H2,20,22,23,26)
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| InChIKey |
YSZSAMOEPLHXNZ-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