General Information of the Compound
| Compound ID |
CP0493295
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| Compound Name |
US9212165, 23
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| Structure |
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| Formula |
C21H20FN3O
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| Molecular Weight |
349.409
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| Canonical SMILES |
Fc1cccnc1C(=O)N[C@]12CC[C@](C1)(CCC2)C#Cc1ccccn1
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| InChI |
InChI=1S/C21H20FN3O/c22-17-6-3-14-24-18(17)19(26)25-21-9-4-8-20(15-21,11-12-21)10-7-16-5-1-2-13-23-16/h1-3,5-6,13-14H,4,8-9,11-12,15H2,(H,25,26)/t20-,21+/m0/s1
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| InChIKey |
JXOUJFNSMCRWCE-LEWJYISDSA-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