General Information of the Compound
| Compound ID |
CP0558740
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| Compound Name |
CHEMBL4777304
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| Formula |
C31H35F3N6O3S
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| Molecular Weight |
628.721
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| Canonical SMILES |
CC(C)n1c2nc(N[C@H]3CC[C@@H](CC3)N(C)C)ncc2cc(-c2c(F)cc(NS(=O)(=O)Cc3ccc(F)cc3)cc2F)c1=O
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| InChI |
InChI=1S/C31H35F3N6O3S/c1-18(2)40-29-20(16-35-31(37-29)36-22-9-11-24(12-10-22)39(3)4)13-25(30(40)41)28-26(33)14-23(15-27(28)34)38-44(42,43)17-19-5-7-21(32)8-6-19/h5-8,13-16,18,22,24,38H,9-12,17H2,1-4H3,(H,35,36,37)/t22-,24-
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| InChIKey |
KXRGJOFBTUDTEE-HCGLCNNCSA-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