General Information of the Compound
| Compound ID |
CP0902574
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| Compound Name |
(S)-2-(2-ethoxy-4-(5-((((R)-2-((R)-1-(N-hydroxyformamido)propyl)heptanamido)methyl)carbamoyl)furan-2-yl)benzamido)pentanedioic acid
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| Structure |
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| Formula |
C31H42N4O11
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| Molecular Weight |
646.694
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| Canonical SMILES |
CCCCC[C@@H](C(=O)NCNC(=O)c1ccc(-c2ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)c(OCC)c2)o1)[C@@H](CC)N(O)C=O
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| InChI |
InChI=1S/C31H42N4O11/c1-4-7-8-9-20(23(5-2)35(44)18-36)28(39)32-17-33-30(41)25-14-13-24(46-25)19-10-11-21(26(16-19)45-6-3)29(40)34-22(31(42)43)12-15-27(37)38/h10-11,13-14,16,18,20,22-23,44H,4-9,12,15,17H2,1-3H3,(H,32,39)(H,33,41)(H,34,40)(H,37,38)(H,42,43)/t20-,22+,23-/m1/s1
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| InChIKey |
UVJRLKOOCWTBPV-AKIFATBCSA-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