General Information of the Compound
| Compound ID |
CP0191287
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| Compound Name |
N-[2-[[(2R)-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-(4-phenylphenyl)sulfonylamino]ethyl]benzamide
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| Structure |
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| Formula |
C26H29N3O5S
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| Molecular Weight |
495.601
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| Canonical SMILES |
CC(C)[C@@H](N(CCNC(=O)c1ccccc1)S(=O)(=O)c1ccc(cc1)-c1ccccc1)C(=O)NO
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| InChI |
InChI=1S/C26H29N3O5S/c1-19(2)24(26(31)28-32)29(18-17-27-25(30)22-11-7-4-8-12-22)35(33,34)23-15-13-21(14-16-23)20-9-5-3-6-10-20/h3-16,19,24,32H,17-18H2,1-2H3,(H,27,30)(H,28,31)/t24-/m1/s1
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| InChIKey |
QHCDOFQMQJCFGF-XMMPIXPASA-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: PT00849, Matrix metalloproteinase-9