General Information of the Compound
| Compound ID |
CP0563330
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| Compound Name |
US9233968, 31
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| Structure |
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| Formula |
C23H18FN5O
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| Molecular Weight |
399.429
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| Canonical SMILES |
Cc1ccc(F)c(NC(=O)Nc2cccc(c2)C#Cc2cccc3[nH]nc(N)c23)c1
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| InChI |
InChI=1S/C23H18FN5O/c1-14-8-11-18(24)20(12-14)27-23(30)26-17-6-2-4-15(13-17)9-10-16-5-3-7-19-21(16)22(25)29-28-19/h2-8,11-13H,1H3,(H3,25,28,29)(H2,26,27,30)
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| InChIKey |
XETSXMSFYMSRIZ-UHFFFAOYSA-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