General Information of the Compound
| Compound ID |
CP0901498
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| Compound Name |
2-(3-(5-((((R)-2-((R)-1-(N-hydroxyformamido)propyl)heptanamido)methyl)carbamoyl)furan-2-yl)-5-phosphonophenoxy)acetic acid
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| Structure |
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| Formula |
C25H34N3O11P
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| Molecular Weight |
583.531
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| Canonical SMILES |
CCCCC[C@@H](C(=O)NCNC(=O)c1ccc(-c2cc(OCC(=O)O)cc(P(=O)(O)O)c2)o1)[C@@H](CC)N(O)C=O
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| InChI |
InChI=1S/C25H34N3O11P/c1-3-5-6-7-19(20(4-2)28(34)15-29)24(32)26-14-27-25(33)22-9-8-21(39-22)16-10-17(38-13-23(30)31)12-18(11-16)40(35,36)37/h8-12,15,19-20,34H,3-7,13-14H2,1-2H3,(H,26,32)(H,27,33)(H,30,31)(H2,35,36,37)/t19-,20-/m1/s1
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| InChIKey |
ONQWPVVGQDSHAR-WOJBJXKFSA-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