General Information of the Compound
| Compound ID |
CP0869733
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| Compound Name |
(S)-2-(2-ethoxy-4-(5-((((R)-2-((R)-1-(N-((2-isopropyl-4-methoxybenzoyl)oxy)formamido)propyl)heptanamido)methyl)carbamoyl)furan-2-yl)benzamido)succinic acid
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| Structure |
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| Formula |
C41H52N4O13
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| Molecular Weight |
808.882
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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(OC)cc1C(C)C
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| InChI |
InChI=1S/C41H52N4O13/c1-7-10-11-12-28(32(8-2)45(23-46)58-41(54)27-16-14-26(55-6)20-30(27)24(4)5)37(49)42-22-43-39(51)34-18-17-33(57-34)25-13-15-29(35(19-25)56-9-3)38(50)44-31(40(52)53)21-36(47)48/h13-20,23-24,28,31-32H,7-12,21-22H2,1-6H3,(H,42,49)(H,43,51)(H,44,50)(H,47,48)(H,52,53)/t28-,31+,32-/m1/s1
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| InChIKey |
KLTUDKDQTPDPQT-FZPFXXBJSA-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