General Information of the Compound
| Compound ID |
CP0526717
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| Compound Name |
I-27
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| Structure |
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| Formula |
C18H17F4N5O3
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| Molecular Weight |
427.358
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| Canonical SMILES |
C[C@@]1(N=C(N)O[C@H](CF)[C@@H]1F)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F
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| InChI |
InChI=1S/C18H17F4N5O3/c1-18(15(22)13(5-19)30-17(23)27-18)10-4-9(2-3-11(10)21)26-16(28)12-6-25-14(7-24-12)29-8-20/h2-4,6-7,13,15H,5,8H2,1H3,(H2,23,27)(H,26,28)/t13-,15+,18-/m1/s1
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| InChIKey |
CZFHVTRHAUEYMV-QIIPPGSGSA-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