General Information of the Compound
| Compound ID |
CP0551523
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| Compound Name |
2-amino-8-[2-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]ethyl]-4-(5-methylfuran-2-yl)pteridin-7-one
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| Structure |
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| Formula |
C25H29N7O3
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| Molecular Weight |
475.553
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| Canonical SMILES |
COc1ccc(cc1)N1CCCN(CCn2c3nc(N)nc(-c4ccc(C)o4)c3ncc2=O)CC1
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| InChI |
InChI=1S/C25H29N7O3/c1-17-4-9-20(35-17)22-23-24(29-25(26)28-22)32(21(33)16-27-23)15-13-30-10-3-11-31(14-12-30)18-5-7-19(34-2)8-6-18/h4-9,16H,3,10-15H2,1-2H3,(H2,26,28,29)
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| InChIKey |
SQDROIWUHYEYDU-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