General Information of the Compound
| Compound ID |
CP0870061
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| Compound Name |
(S)-2-(4-(5-((((R)-2-((R)-1-(N-((1-naphthoyl)oxy)formamido)propyl)heptanamido)methyl)carbamoyl)furan-2-yl)-2-(carboxymethoxy)benzamido)succinic acid
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| Structure |
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| Formula |
C41H44N4O14
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| Molecular Weight |
816.817
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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)c1cccc2ccccc12
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| InChI |
InChI=1S/C41H44N4O14/c1-3-5-6-13-28(31(4-2)45(23-46)59-41(56)27-14-9-11-24-10-7-8-12-26(24)27)37(51)42-22-43-39(53)33-18-17-32(58-33)25-15-16-29(34(19-25)57-21-36(49)50)38(52)44-30(40(54)55)20-35(47)48/h7-12,14-19,23,28,30-31H,3-6,13,20-22H2,1-2H3,(H,42,51)(H,43,53)(H,44,52)(H,47,48)(H,49,50)(H,54,55)/t28-,30+,31-/m1/s1
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| InChIKey |
GMSKZWIOWPVOPK-WEAWZCMZSA-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