General Information of the Compound
| Compound ID |
CP0887684
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| Compound Name |
ethyl 3-(6-((((R)-2-((R)-1-(N-hydroxyformamido)propyl)heptanamido)methyl)carbamoyl)pyridin-2-yl)-5-sulfamoylbenzoate
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| Structure |
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| Formula |
C27H39N5O7S
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| Molecular Weight |
577.704
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| Canonical SMILES |
CCCCC[C@@H](C(=O)NCNC(=O)c1cccc(-c2cc(COCC)cc(S(N)(=O)=O)c2)n1)[C@@H](CC)N(O)C=O
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| InChI |
InChI=1S/C27H39N5O7S/c1-4-7-8-10-22(25(5-2)32(36)18-33)26(34)29-17-30-27(35)24-12-9-11-23(31-24)20-13-19(16-39-6-3)14-21(15-20)40(28,37)38/h9,11-15,18,22,25,36H,4-8,10,16-17H2,1-3H3,(H,29,34)(H,30,35)(H2,28,37,38)/t22-,25-/m1/s1
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| InChIKey |
DLMIHDLAJGAHHF-RCZVLFRGSA-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: PT04609, Tolloid-like protein 1
Protein ID: PT06770, Tolloid-like protein 2