General Information of the Compound
| Compound ID |
CP0874545
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| Compound Name |
(S)-2-(2-(carboxymethoxy)-4-(5-((((R)-2-((R)-1-(N-((4-fluoro-2-isopropylbenzoyl)oxy)formamido)propyl)heptanamido)methyl)carbamoyl)furan-2-yl)benzamido)succinic acid
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| Structure |
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| Formula |
C40H47FN4O14
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| Molecular Weight |
826.828
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| Canonical SMILES |
CCCCC[C@@H](C(=O)NCNC(=O)c1ccc(-c2ccc(C(=O)N[C@@H](CC(=O)O)C(=O)O)c(OCC(=O)O)c2)o1)[C@@H](CC)N(C=O)OC(=O)c1ccc(F)cc1C(C)C
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| InChI |
InChI=1S/C40H47FN4O14/c1-5-7-8-9-26(30(6-2)45(21-46)59-40(56)25-13-11-24(41)17-28(25)22(3)4)36(51)42-20-43-38(53)32-15-14-31(58-32)23-10-12-27(33(16-23)57-19-35(49)50)37(52)44-29(39(54)55)18-34(47)48/h10-17,21-22,26,29-30H,5-9,18-20H2,1-4H3,(H,42,51)(H,43,53)(H,44,52)(H,47,48)(H,49,50)(H,54,55)/t26-,29+,30-/m1/s1
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| InChIKey |
WFQSETLKDVIFCQ-JJZPZGAKSA-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