General Information of the Compound
| Compound ID |
CP0853211
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| Compound Name |
(S)-2-(2-ethoxy-4-(5-((((R)-2-((R)-1-(N-((4-(morpholinomethyl)benzoyl)oxy)formamido)propyl)heptanamido)methyl)carbamoyl)furan-2-yl)benzamido)succinic acid
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| Structure |
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| Formula |
C42H53N5O13
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| Molecular Weight |
835.908
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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)c2)o1)[C@@H](CC)N(C=O)OC(=O)c1ccc(CN2CCOCC2)cc1
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| InChI |
InChI=1S/C42H53N5O13/c1-4-7-8-9-30(33(5-2)47(26-48)60-42(56)28-12-10-27(11-13-28)24-46-18-20-57-21-19-46)38(51)43-25-44-40(53)35-17-16-34(59-35)29-14-15-31(36(22-29)58-6-3)39(52)45-32(41(54)55)23-37(49)50/h10-17,22,26,30,32-33H,4-9,18-21,23-25H2,1-3H3,(H,43,51)(H,44,53)(H,45,52)(H,49,50)(H,54,55)/t30-,32+,33-/m1/s1
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| InChIKey |
XQYLLYLQHRANAI-NGYIUDBNSA-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