General Information of the Compound
| Compound ID |
CP0903698
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| Compound Name |
(S)-2-(2-ethoxy-4-(5-((((R)-2-((R)-1-(N-((4-fluoro-2-isopropylbenzoyl)oxy)formamido)propyl)heptanamido)methyl)carbamoyl)furan-2-yl)benzamido)succinic acid
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| Structure |
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| Formula |
C40H49FN4O12
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| Molecular Weight |
796.846
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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(F)cc1C(C)C
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| InChI |
InChI=1S/C40H49FN4O12/c1-6-9-10-11-27(31(7-2)45(22-46)57-40(54)26-15-13-25(41)19-29(26)23(4)5)36(49)42-21-43-38(51)33-17-16-32(56-33)24-12-14-28(34(18-24)55-8-3)37(50)44-30(39(52)53)20-35(47)48/h12-19,22-23,27,30-31H,6-11,20-21H2,1-5H3,(H,42,49)(H,43,51)(H,44,50)(H,47,48)(H,52,53)/t27-,30+,31-/m1/s1
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| InChIKey |
DTJVAIISWATYCI-JMJMSVOMSA-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