General Information of the Compound
| Compound ID |
CP0551784
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| Compound Name |
(2R)-5-[[amino-[2-[(2,2-difluoroacetyl)amino]ethylcarbamoylamino]methylidene]amino]-2-[(2,2-diphenylacetyl)amino]-N-[(4-hydroxyphenyl)methyl]pentanamide;2,2,2-trifluoroacetic acid
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| Formula |
C34H38F5N7O7
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| Molecular Weight |
751.71
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| Canonical SMILES |
OC(=O)C(F)(F)F.N\C(NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)=N\C(=O)NCCNC(=O)C(F)F
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| InChI |
InChI=1S/C32H37F2N7O5.C2HF3O2/c33-27(34)30(45)36-18-19-38-32(46)41-31(35)37-17-7-12-25(28(43)39-20-21-13-15-24(42)16-14-21)40-29(44)26(22-8-3-1-4-9-22)23-10-5-2-6-11-23;3-2(4,5)1(6)7/h1-6,8-11,13-16,25-27,42H,7,12,17-20H2,(H,36,45)(H,39,43)(H,40,44)(H4,35,37,38,41,46);(H,6,7)/t25-;/m1./s1
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| InChIKey |
MBSVTJRCFWBYMP-VQIWEWKSSA-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