General Information of the Compound
| Compound ID |
CP0493665
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| Compound Name |
2-{[4,8-bis(azonan-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 |
C26H44N8O2
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| Molecular Weight |
500.692
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| Canonical SMILES |
OCCNc1nc(N2CCCCCCCC2)c2nc(NCCO)nc(N3CCCCCCCC3)c2n1
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| InChI |
InChI=1S/C26H44N8O2/c35-19-13-27-25-30-22-21(23(31-25)33-15-9-5-1-2-6-10-16-33)29-26(28-14-20-36)32-24(22)34-17-11-7-3-4-8-12-18-34/h35-36H,1-20H2,(H,27,30,31)(H,28,29,32)
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| InChIKey |
BTHKEZXNQLQGJX-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