General Information of the Compound
| Compound ID |
CP0355581
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| Compound Name |
US10005756, Compound A79
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| Structure |
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| Formula |
C19H15ClF2N4O3
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| Molecular Weight |
420.803
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| Canonical SMILES |
O[C@@]1(CCN(C1=O)c1cnc2[nH]cc(Cl)c2c1)C(=O)NCc1cc(F)cc(F)c1
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| InChI |
InChI=1S/C19H15ClF2N4O3/c20-15-9-24-16-14(15)6-13(8-23-16)26-2-1-19(29,18(26)28)17(27)25-7-10-3-11(21)5-12(22)4-10/h3-6,8-9,29H,1-2,7H2,(H,23,24)(H,25,27)/t19-/m0/s1
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| InChIKey |
RHDRMVDHQCJZDS-IBGZPJMESA-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