General Information of the Compound
| Compound ID |
CP0880514
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| Compound Name |
(S)-2-(2-ethoxy-4-(5-((((R)-2-((R)-1-(N-((2-fluoro-4-methoxybenzoyl)oxy)formamido)propyl)heptanamido)methyl)carbamoyl)furan-2-yl)benzamido)succinic acid
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| Structure |
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| Formula |
C38H45FN4O13
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| Molecular Weight |
784.791
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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)cc1F
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| InChI |
InChI=1S/C38H45FN4O13/c1-5-8-9-10-25(29(6-2)43(21-44)56-38(52)24-14-12-23(53-4)18-27(24)39)34(47)40-20-41-36(49)31-16-15-30(55-31)22-11-13-26(32(17-22)54-7-3)35(48)42-28(37(50)51)19-33(45)46/h11-18,21,25,28-29H,5-10,19-20H2,1-4H3,(H,40,47)(H,41,49)(H,42,48)(H,45,46)(H,50,51)/t25-,28+,29-/m1/s1
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| InChIKey |
DUDGAVKCHMPPHJ-QUFBTCJSSA-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