General Information of the Compound
| Compound ID |
CP0869734
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| Compound Name |
(S)-2-(2-ethoxy-4-(5-((((R)-2-((R)-1-(N-((2-methyl-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 |
C43H55N5O13
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| Molecular Weight |
849.935
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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)cc1C
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| InChI |
InChI=1S/C43H55N5O13/c1-5-8-9-10-31(34(6-2)48(26-49)61-43(57)30-13-11-28(21-27(30)4)24-47-17-19-58-20-18-47)39(52)44-25-45-41(54)36-16-15-35(60-36)29-12-14-32(37(22-29)59-7-3)40(53)46-33(42(55)56)23-38(50)51/h11-16,21-22,26,31,33-34H,5-10,17-20,23-25H2,1-4H3,(H,44,52)(H,45,54)(H,46,53)(H,50,51)(H,55,56)/t31-,33+,34-/m1/s1
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| InChIKey |
UINKSSUVEIBXIV-PNIVXLCQSA-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