General Information of the Compound
| Compound ID |
CP0880516
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| Compound Name |
(S)-2-(2-ethoxy-4-(5-((((R)-2-((R)-1-(N-(2-phenylacetoxy)formamido)propyl)heptanamido)methyl)carbamoyl)furan-2-yl)benzamido)succinic acid
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| Structure |
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| Formula |
C38H46N4O12
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| Molecular Weight |
750.802
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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)Cc1ccccc1
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| InChI |
InChI=1S/C38H46N4O12/c1-4-7-9-14-26(29(5-2)42(23-43)54-34(46)19-24-12-10-8-11-13-24)35(47)39-22-40-37(49)31-18-17-30(53-31)25-15-16-27(32(20-25)52-6-3)36(48)41-28(38(50)51)21-33(44)45/h8,10-13,15-18,20,23,26,28-29H,4-7,9,14,19,21-22H2,1-3H3,(H,39,47)(H,40,49)(H,41,48)(H,44,45)(H,50,51)/t26-,28+,29-/m1/s1
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| InChIKey |
MNYZVYNGYHFJQY-XNFLFYSQSA-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