General Information of the Compound
| Compound ID |
CP0377892
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| Compound Name |
2-{[4,8-bis(azocan-1-yl)-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 |
C24H40N8O2
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| Molecular Weight |
472.638
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| Canonical SMILES |
OCCNc1nc(N2CCCCCCC2)c2nc(NCCO)nc(N3CCCCCCC3)c2n1
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| InChI |
InChI=1S/C24H40N8O2/c33-17-11-25-23-28-20-19(21(29-23)31-13-7-3-1-4-8-14-31)27-24(26-12-18-34)30-22(20)32-15-9-5-2-6-10-16-32/h33-34H,1-18H2,(H,25,28,29)(H,26,27,30)
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| InChIKey |
JPTTUGMQUXIWPO-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