General Information of the Compound
| Compound ID |
CP0578150
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| Compound Name |
US9346829, 12
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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(-c2ccccn2)c2ncc(F)cc12
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| InChI |
InChI=1S/C21H22FN5O2/c1-26-15-7-14(8-16(26)12-29-11-15)25-21(28)18-10-27(19-4-2-3-5-23-19)20-17(18)6-13(22)9-24-20/h2-6,9-10,14-16H,7-8,11-12H2,1H3,(H,25,28)/t14-,15-,16+
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| InChIKey |
SCBSJBTUKGFUSO-PHZGNYQRSA-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