General Information of the Compound
| Compound ID |
CP0903696
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| Compound Name |
(S)-2-(2-ethoxy-4-(5-((((R)-2-((R)-1-(N-((2-isopropylbenzoyl)oxy)formamido)propyl)heptanamido)methyl)carbamoyl)furan-2-yl)benzamido)succinic acid
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| Structure |
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| Formula |
C40H50N4O12
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| Molecular Weight |
778.856
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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)c1ccccc1C(C)C
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| InChI |
InChI=1S/C40H50N4O12/c1-6-9-10-15-28(31(7-2)44(23-45)56-40(53)27-14-12-11-13-26(27)24(4)5)36(48)41-22-42-38(50)33-19-18-32(55-33)25-16-17-29(34(20-25)54-8-3)37(49)43-30(39(51)52)21-35(46)47/h11-14,16-20,23-24,28,30-31H,6-10,15,21-22H2,1-5H3,(H,41,48)(H,42,50)(H,43,49)(H,46,47)(H,51,52)/t28-,30+,31-/m1/s1
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| InChIKey |
JOCMVSVTNKOXAD-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