General Information of the Compound
| Compound ID |
CP0413244
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| Compound Name |
US9206164, 96
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| Structure |
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| Formula |
C22H21FN4O3
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| Molecular Weight |
408.433
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| Canonical SMILES |
COc1ccc2[nH]c(nc2c1)-c1ccc(Cn2nc(C)c(CC(O)=O)c2C)c(F)c1
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| InChI |
InChI=1S/C22H21FN4O3/c1-12-17(10-21(28)29)13(2)27(26-12)11-15-5-4-14(8-18(15)23)22-24-19-7-6-16(30-3)9-20(19)25-22/h4-9H,10-11H2,1-3H3,(H,24,25)(H,28,29)
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| InChIKey |
RKAKJGFNNBVWGD-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