General Information of the Compound
| Compound ID |
CP0516263
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| Compound Name |
US9163011, 25
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| Structure |
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| Formula |
C17H17F4N7O3
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| Molecular Weight |
443.361
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| Canonical SMILES |
C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(OCCF)nc2N)ccc1F
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| InChI |
InChI=1S/C17H17F4N7O3/c1-16(17(20,21)7-31-15(23)28-16)12-8(19)2-3-9(25-12)26-14(29)11-13(22)27-10(6-24-11)30-5-4-18/h2-3,6H,4-5,7H2,1H3,(H2,22,27)(H2,23,28)(H,25,26,29)/t16-/m1/s1
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| InChIKey |
HTVUCPUQMUSURS-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