General Information of the Compound
| Compound ID |
CP0963696
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| Compound Name |
(S)-2-(3-(carboxymethoxy)-5-(5-(((R)-2-((R)-1-(N-hydroxyformamido)propyl)heptanamido)methylcarbamoyl)furan-2-yl)benzamido)succinic acid
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| Structure |
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| Formula |
C30H38N4O13
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| Molecular Weight |
662.649
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| Canonical SMILES |
CCCCC[C@@H](C(=O)NCNC(=O)c1ccc(-c2cc(OCC(=O)O)cc(C(=O)N[C@@H](CC(=O)O)C(=O)O)c2)o1)[C@@H](CC)N(O)C=O
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| InChI |
InChI=1S/C30H38N4O13/c1-3-5-6-7-20(22(4-2)34(45)16-35)28(41)31-15-32-29(42)24-9-8-23(47-24)17-10-18(12-19(11-17)46-14-26(38)39)27(40)33-21(30(43)44)13-25(36)37/h8-12,16,20-22,45H,3-7,13-15H2,1-2H3,(H,31,41)(H,32,42)(H,33,40)(H,36,37)(H,38,39)(H,43,44)/t20-,21+,22-/m1/s1
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| InChIKey |
ZURXEANTGKYQTD-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