General Information of the Compound
| Compound ID |
CP0578151
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| Compound Name |
US9346829, 13
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| Formula |
C21H22FN5O2
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| Molecular Weight |
395.438
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| Canonical SMILES |
CN1[C@H]2COC[C@@H]1C[C@@H](C2)NC(=O)c1cn(-c2cccnc2)c2ncc(F)cc12
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| InChI |
InChI=1S/C21H22FN5O2/c1-26-16-6-14(7-17(26)12-29-11-16)25-21(28)19-10-27(15-3-2-4-23-9-15)20-18(19)5-13(22)8-24-20/h2-5,8-10,14,16-17H,6-7,11-12H2,1H3,(H,25,28)/t14-,16-,17+
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| InChIKey |
XLIZJIRFMQBIQB-XGBSXSJOSA-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