General Information of the Compound
| Compound ID |
CP0563778
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| Compound Name |
US8664236, A28
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| Structure |
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| Formula |
C27H28FN9O
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| Molecular Weight |
513.581
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| Canonical SMILES |
Cn1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)N(CCN3CCOCC3)c3cccc(F)c3)c2c1
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| InChI |
InChI=1S/C27H28FN9O/c1-35-17-19(15-32-35)18-11-22-23(16-31-26(22)30-14-18)24-13-25(34-27(29)33-24)37(21-4-2-3-20(28)12-21)6-5-36-7-9-38-10-8-36/h2-4,11-17H,5-10H2,1H3,(H,30,31)(H2,29,33,34)
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| InChIKey |
OKDIHHJYDMOVNN-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