General Information of the Compound
| Compound ID |
CP0516265
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| Compound Name |
US9163011, 36
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| Structure |
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| Formula |
C18H15ClF5N5O2
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| Molecular Weight |
463.794
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| Canonical SMILES |
CC(F)(F)c1cnc(C(=O)Nc2ccc(F)c(n2)[C@@]2(C)N=C(N)OCC2(F)F)c(Cl)c1
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| InChI |
InChI=1S/C18H15ClF5N5O2/c1-16(18(23,24)7-31-15(25)29-16)13-10(20)3-4-11(27-13)28-14(30)12-9(19)5-8(6-26-12)17(2,21)22/h3-6H,7H2,1-2H3,(H2,25,29)(H,27,28,30)/t16-/m1/s1
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| InChIKey |
XPBAJSSGHKMEKU-MRXNPFEDSA-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