General Information of the Compound
| Compound ID |
CP0897073
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| Compound Name |
3-(6-((((R)-2-((R)-1-(N-hydroxyformamido)propyl)heptanamido)methyl)carbamoyl)pyridin-2-yl)-5-sulfamoylbenzoic acid
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| Structure |
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| Formula |
C25H33N5O8S
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| Molecular Weight |
563.633
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| Canonical SMILES |
CCCCC[C@@H](C(=O)NCNC(=O)c1cccc(-c2cc(C(=O)O)cc(S(N)(=O)=O)c2)n1)[C@@H](CC)N(O)C=O
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| InChI |
InChI=1S/C25H33N5O8S/c1-3-5-6-8-19(22(4-2)30(36)15-31)23(32)27-14-28-24(33)21-10-7-9-20(29-21)16-11-17(25(34)35)13-18(12-16)39(26,37)38/h7,9-13,15,19,22,36H,3-6,8,14H2,1-2H3,(H,27,32)(H,28,33)(H,34,35)(H2,26,37,38)/t19-,22-/m1/s1
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| InChIKey |
CCKFPUDNNBCSBW-DENIHFKCSA-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