General Information of the Compound
| Compound ID |
CP0883831
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| Compound Name |
5-(3-((2-aminoethyl)carbamoyl)-5-ethoxyphenyl)-N-(((R)-2-((R)-1-(N-hydroxyformamido)propyl)heptanamido)methyl)furan-2-carboxamide
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| Structure |
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| Formula |
C28H41N5O7
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| Molecular Weight |
559.664
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| Canonical SMILES |
CCCCC[C@@H](C(=O)NCNC(=O)c1ccc(-c2cc(OCC)cc(C(=O)NCCN)c2)o1)[C@@H](CC)N(O)C=O
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| InChI |
InChI=1S/C28H41N5O7/c1-4-7-8-9-22(23(5-2)33(38)18-34)27(36)31-17-32-28(37)25-11-10-24(40-25)19-14-20(26(35)30-13-12-29)16-21(15-19)39-6-3/h10-11,14-16,18,22-23,38H,4-9,12-13,17,29H2,1-3H3,(H,30,35)(H,31,36)(H,32,37)/t22-,23-/m1/s1
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| InChIKey |
ILFMRQDLKYEUED-DHIUTWEWSA-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