General Information of the Compound
| Compound ID |
CP0948191
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| Compound Name |
5-(3-((1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl)carbamoyl)-5-ethoxyphenyl)-N-(((R)-2-((R)-1-(N-hydroxyformamido)propyl)heptanamido)methyl)furan-2-carboxamide
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| Structure |
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| Formula |
C30H44N4O10
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| Molecular Weight |
620.7
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| Canonical SMILES |
CCCCC[C@@H](C(=O)NCNC(=O)c1ccc(-c2cc(OCC)cc(C(=O)NC(CO)(CO)CO)c2)o1)[C@@H](CC)N(O)C=O
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| InChI |
InChI=1S/C30H44N4O10/c1-4-7-8-9-23(24(5-2)34(42)19-38)28(40)31-18-32-29(41)26-11-10-25(44-26)20-12-21(14-22(13-20)43-6-3)27(39)33-30(15-35,16-36)17-37/h10-14,19,23-24,35-37,42H,4-9,15-18H2,1-3H3,(H,31,40)(H,32,41)(H,33,39)/t23-,24-/m1/s1
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| InChIKey |
IPNMBHMQDSWLCZ-DNQXCXABSA-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