General Information of the Compound
| Compound ID |
CP0903539
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| Compound Name |
2-(3-ethoxy-5-(5-((((R)-2-((R)-1-(N-hydroxyformamido)propyl)heptanamido)methyl)carbamoyl)furan-2-yl)benzamido)-N,N,N-trimethylethanammium hydroxide
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| Structure |
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| Formula |
C31H49N5O8
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| Molecular Weight |
619.76
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| Canonical SMILES |
CCCCC[C@@H](C(=O)NCNC(=O)c1ccc(-c2cc(OCC)cc(C(=O)NCC[N+](C)(C)C)c2)o1)[C@@H](CC)N(O)C=O.[OH-]
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| InChI |
InChI=1S/C31H47N5O7.H2O/c1-7-10-11-12-25(26(8-2)35(41)21-37)30(39)33-20-34-31(40)28-14-13-27(43-28)22-17-23(19-24(18-22)42-9-3)29(38)32-15-16-36(4,5)6;/h13-14,17-19,21,25-26,41H,7-12,15-16,20H2,1-6H3,(H2-,32,33,34,38,39,40);1H2/t25-,26-;/m1./s1
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| InChIKey |
QEDFZDKHVMQJIV-JUJAXGASSA-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