General Information of the Compound
| Compound ID |
CP0909645
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| Compound Name |
(S)-2-(2-(carboxymethoxy)-4-(5-((((R)-2-((R)-1-(N-(2,2-diphenylacetoxy)formamido)propyl)heptanamido)methyl)carbamoyl)furan-2-yl)benzamido)succinic acid
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| Structure |
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| Formula |
C44H48N4O14
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| Molecular Weight |
856.882
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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(=O)O)c2)o1)[C@@H](CC)N(C=O)OC(=O)C(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C44H48N4O14/c1-3-5-8-17-30(33(4-2)48(26-49)62-44(59)39(27-13-9-6-10-14-27)28-15-11-7-12-16-28)40(54)45-25-46-42(56)35-21-20-34(61-35)29-18-19-31(36(22-29)60-24-38(52)53)41(55)47-32(43(57)58)23-37(50)51/h6-7,9-16,18-22,26,30,32-33,39H,3-5,8,17,23-25H2,1-2H3,(H,45,54)(H,46,56)(H,47,55)(H,50,51)(H,52,53)(H,57,58)/t30-,32+,33-/m1/s1
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| InChIKey |
FJZJXNUBVNDBPA-NGYIUDBNSA-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