General Information of the Compound
| Compound ID |
CP0901596
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| Compound Name |
(S)-2-(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 |
C29H38N4O10
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| Molecular Weight |
602.641
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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)cc2)o1)[C@@H](CC)N(O)C=O
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| InChI |
InChI=1S/C29H38N4O10/c1-3-5-6-7-20(22(4-2)33(42)17-34)27(38)30-16-31-28(39)24-14-13-23(43-24)18-8-10-19(11-9-18)26(37)32-21(29(40)41)12-15-25(35)36/h8-11,13-14,17,20-22,42H,3-7,12,15-16H2,1-2H3,(H,30,38)(H,31,39)(H,32,37)(H,35,36)(H,40,41)/t20-,21+,22-/m1/s1
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| InChIKey |
RUYMDOGBHBEVHI-BHIFYINESA-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