General Information of the Compound
| Compound ID |
CP0069429
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| Compound Name |
US9206139, 4
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| Synonyms |
BDBM194645
CHEMBL3955404
SCHEMBL15692527
US9206139, 4
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| Structure |
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| Formula |
C20H24F3N3O3
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| Molecular Weight |
411.424
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| Canonical SMILES |
CC(C)[C@H](Cc1ccc(cc1)C(F)(F)F)C(=O)NC[C@]1(NC(=O)NC1=O)C1CC1
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| InChI |
InChI=1S/C20H24F3N3O3/c1-11(2)15(9-12-3-5-14(6-4-12)20(21,22)23)16(27)24-10-19(13-7-8-13)17(28)25-18(29)26-19/h3-6,11,13,15H,7-10H2,1-2H3,(H,24,27)(H2,25,26,28,29)/t15-,19-/m0/s1
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| InChIKey |
VXXYNKXMRXANKX-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