General Information of the Compound
| Compound ID |
CP0324711
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| Compound Name |
US9388171, II-15
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| Structure |
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| Formula |
C25H21ClFN7O
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| Molecular Weight |
489.942
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| Canonical SMILES |
Cn1cc(cn1)[C@@H](NC(=O)c1ccc2cnc(Nc3ccnn3C)cc2c1)c1ccc(Cl)c(F)c1
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| InChI |
InChI=1S/C25H21ClFN7O/c1-33-14-19(13-30-33)24(15-5-6-20(26)21(27)10-15)32-25(35)16-3-4-17-12-28-22(11-18(17)9-16)31-23-7-8-29-34(23)2/h3-14,24H,1-2H3,(H,28,31)(H,32,35)/t24-/m0/s1
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| InChIKey |
RYTILZIKFSZLNP-DEOSSOPVSA-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