General Information of the Compound
| Compound ID |
CP0571331
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| Compound Name |
US10035794, Example 30
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| Structure |
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| Formula |
C19H16ClF6N5O3
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| Molecular Weight |
511.81
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| Canonical SMILES |
C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1nc(NC(=O)c2ncc(OC(F)F)cc2Cl)ccc1F
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| InChI |
InChI=1S/C19H16ClF6N5O3/c1-17(7-33-18(2,15(27)31-17)19(24,25)26)13-10(21)3-4-11(29-13)30-14(32)12-9(20)5-8(6-28-12)34-16(22)23/h3-6,16H,7H2,1-2H3,(H2,27,31)(H,29,30,32)/t17-,18+/m0/s1
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| InChIKey |
DOJQNRYLSRMQDA-ZWKOTPCHSA-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