General Information of the Compound
| Compound ID |
CP0903534
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| Compound Name |
(S)-dimethyl 2-(3-ethoxy-5-(5-((((R)-2-((R)-1-(N-hydroxyformamido)propyl)heptanamido)methyl)carbamoyl)furan-2-yl)benzamido)pentanedioate
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| Structure |
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| Formula |
C33H46N4O11
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| Molecular Weight |
674.748
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| Canonical SMILES |
CCCCC[C@@H](C(=O)NCNC(=O)c1ccc(-c2cc(OCC)cc(C(=O)N[C@@H](CCC(=O)OC)C(=O)OC)c2)o1)[C@@H](CC)N(O)C=O
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| InChI |
InChI=1S/C33H46N4O11/c1-6-9-10-11-24(26(7-2)37(44)20-38)31(41)34-19-35-32(42)28-14-13-27(48-28)21-16-22(18-23(17-21)47-8-3)30(40)36-25(33(43)46-5)12-15-29(39)45-4/h13-14,16-18,20,24-26,44H,6-12,15,19H2,1-5H3,(H,34,41)(H,35,42)(H,36,40)/t24-,25+,26-/m1/s1
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| InChIKey |
ZDTKEEBAYQDTPO-UODIDJSMSA-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