General Information of the Compound
| Compound ID |
CP0574948
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| Compound Name |
CHEMBL4859613
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| Formula |
C27H24FN5O3
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| Molecular Weight |
485.519
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| Canonical SMILES |
CC#CC(=O)N1CCC(CC1)c1cnn2c(C(N)=O)c([nH]c12)-c1ccc(Oc2ccc(F)cc2)cc1
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| InChI |
InChI=1S/C27H24FN5O3/c1-2-3-23(34)32-14-12-17(13-15-32)22-16-30-33-25(26(29)35)24(31-27(22)33)18-4-8-20(9-5-18)36-21-10-6-19(28)7-11-21/h4-11,16-17,31H,12-15H2,1H3,(H2,29,35)
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| InChIKey |
RLWJOCQDPREGAK-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