General Information of the Compound
| Compound ID |
CP0199497
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| Compound Name |
US9206139, 2
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| Structure |
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| Formula |
C19H22F3N3O3
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| Molecular Weight |
397.397
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| Canonical SMILES |
CC[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/C19H22F3N3O3/c1-2-12(9-11-3-5-14(6-4-11)19(20,21)22)15(26)23-10-18(13-7-8-13)16(27)24-17(28)25-18/h3-6,12-13H,2,7-10H2,1H3,(H,23,26)(H2,24,25,27,28)/t12-,18+/m1/s1
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| InChIKey |
XTJBTJMEXZEGIF-XIKOKIGWSA-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