General Information of the Compound
| Compound ID |
CP0457797
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| Compound Name |
2-({6-[bis(2-hydroxyethyl)amino]-4,8-bis(cyclohexylamino)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 |
C26H44N8O4
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| Molecular Weight |
532.69
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| Canonical SMILES |
OCCN(CCO)c1nc(NC2CCCCC2)c2nc(nc(NC3CCCCC3)c2n1)N(CCO)CCO
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| InChI |
InChI=1S/C26H44N8O4/c35-15-11-33(12-16-36)25-30-22-21(23(31-25)27-19-7-3-1-4-8-19)29-26(34(13-17-37)14-18-38)32-24(22)28-20-9-5-2-6-10-20/h19-20,35-38H,1-18H2,(H,27,30,31)(H,28,29,32)
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| InChIKey |
YEVZTFLETSZDEM-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