General Information of the Compound
| Compound ID |
CP0118960
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| Compound Name |
US9206139, 3
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| Synonyms |
1607004-34-1
ADAMTS Inhibitor C7
BDBM194644
CHEMBL3980860
SCHEMBL15692551
US9206139, 3
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| Structure |
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| Formula |
C20H22F3N3O3
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| Molecular Weight |
409.408
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| Canonical SMILES |
FC(F)(F)c1ccc(C[C@@H](C2CC2)C(=O)NC[C@]2(NC(=O)NC2=O)C2CC2)cc1
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| InChI |
InChI=1S/C20H22F3N3O3/c21-20(22,23)14-5-1-11(2-6-14)9-15(12-3-4-12)16(27)24-10-19(13-7-8-13)17(28)25-18(29)26-19/h1-2,5-6,12-13,15H,3-4,7-10H2,(H,24,27)(H2,25,26,28,29)/t15-,19-/m0/s1
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| InChIKey |
JHOUEQAOHDTLPY-KXBFYZLASA-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
Protein ID: PT00842, 72 kDa type IV collagenase
Protein ID: PT01276, Collagenase 3
Protein ID: PT00848, Interstitial collagenase
Protein ID: PT00964, Macrophage metalloelastase
Protein ID: PT00950, Matrilysin
Protein ID: PT00968, Matrix metalloproteinase-14
Protein ID: PT00849, Matrix metalloproteinase-9
Protein ID: PT00900, Neutrophil collagenase
Protein ID: PT00866, Stromelysin-1
Clinical Information about the Compound