General Information of the Compound
| Compound ID |
CP0941372
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| Compound Name |
((2-ethoxy-4-(5-((((R)-2-((R)-1-(N-((2-methyl-4-(morpholinomethyl)benzoyl)oxy)formamido)propyl)heptanamido)methyl)carbamoyl)furan-2-yl)benzamido)methyl)phosphonic acid, Trifluoroacetic acid salt
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| Structure |
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| Formula |
C42H55F3N5O14P
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| Molecular Weight |
941.891
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| Canonical SMILES |
CCCCC[C@@H](C(=O)NCNC(=O)c1ccc(-c2ccc(C(=O)NCP(=O)(O)O)c(OCC)c2)o1)[C@@H](CC)N(C=O)OC(=O)c1ccc(CN2CCOCC2)cc1C.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C40H54N5O12P.C2HF3O2/c1-5-8-9-10-31(33(6-2)45(26-46)57-40(50)30-13-11-28(21-27(30)4)23-44-17-19-54-20-18-44)37(47)41-24-42-39(49)35-16-15-34(56-35)29-12-14-32(36(22-29)55-7-3)38(48)43-25-58(51,52)53;3-2(4,5)1(6)7/h11-16,21-22,26,31,33H,5-10,17-20,23-25H2,1-4H3,(H,41,47)(H,42,49)(H,43,48)(H2,51,52,53);(H,6,7)/t31-,33-;/m1./s1
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| InChIKey |
XXTBEWKQJIVIDC-NJWRWCCFSA-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