General Information of the Compound
| Compound ID |
CP0324959
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| Compound Name |
US9388171, I-8
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| Structure |
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| Formula |
C21H18ClFN6O2
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| Molecular Weight |
440.866
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| Canonical SMILES |
Cn1nccc1Nc1cc2nc(ccc2cn1)C(=O)N[C@H](CO)c1ccc(Cl)c(F)c1
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| InChI |
InChI=1S/C21H18ClFN6O2/c1-29-20(6-7-25-29)28-19-9-17-13(10-24-19)3-5-16(26-17)21(31)27-18(11-30)12-2-4-14(22)15(23)8-12/h2-10,18,30H,11H2,1H3,(H,24,28)(H,27,31)/t18-/m1/s1
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| InChIKey |
VKEHHFHLZFTOGI-GOSISDBHSA-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