General Information of the Compound
| Compound ID |
CP0541174
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| Compound Name |
5-amino-8-(furan-2-yl)-1-methyl-3-[2-[4-[4-(oxolan-3-yloxy)phenyl]piperazin-1-yl]ethyl]-[1,2,4]triazolo[5,1-f]purin-2-one
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| Structure |
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| Formula |
C27H31N9O4
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| Molecular Weight |
545.604
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| Canonical SMILES |
Cn1c2c(nc(N)n3nc(nc23)-c2ccco2)n(CCN2CCN(CC2)c2ccc(OC3CCOC3)cc2)c1=O
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| InChI |
InChI=1S/C27H31N9O4/c1-32-22-24(30-26(28)36-25(22)29-23(31-36)21-3-2-15-39-21)35(27(32)37)14-11-33-9-12-34(13-10-33)18-4-6-19(7-5-18)40-20-8-16-38-17-20/h2-7,15,20H,8-14,16-17H2,1H3,(H2,28,30)
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| InChIKey |
KMMFUGMKQUTMNT-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