General Information of the Compound
| Compound ID |
CP0870059
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| Compound Name |
(S)-2-(2-ethoxy-4-(5-((((R)-2-((R)-1-(N-((4-(trifluoromethyl)benzoyl)oxy)formamido)propyl)heptanamido)methyl)carbamoyl)furan-2-yl)benzamido)succinic acid
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| Structure |
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| Formula |
C38H43F3N4O12
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| Molecular Weight |
804.772
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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(C(F)(F)F)cc1
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| InChI |
InChI=1S/C38H43F3N4O12/c1-4-7-8-9-25(28(5-2)45(21-46)57-37(54)22-10-13-24(14-11-22)38(39,40)41)33(49)42-20-43-35(51)30-17-16-29(56-30)23-12-15-26(31(18-23)55-6-3)34(50)44-27(36(52)53)19-32(47)48/h10-18,21,25,27-28H,4-9,19-20H2,1-3H3,(H,42,49)(H,43,51)(H,44,50)(H,47,48)(H,52,53)/t25-,27+,28-/m1/s1
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| InChIKey |
MTRDXSNVZBPNNV-FPNNDXFKSA-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