General Information of the Compound
| Compound ID |
CP0553606
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| Compound Name |
(2R)-5-[[amino-[3-(propanoylamino)propylcarbamoylamino]methylidene]amino]-2-[(2,2-diphenylacetyl)amino]-N-[(4-hydroxyphenyl)methyl]pentanamide;2,2,2-trifluoroacetic acid
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| Formula |
C36H44F3N7O7
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| Molecular Weight |
743.784
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| Canonical SMILES |
OC(=O)C(F)(F)F.CCC(=O)NCCCNC(=O)\N=C(\N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1
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| InChI |
InChI=1S/C34H43N7O5.C2HF3O2/c1-2-29(43)36-21-10-22-38-34(46)41-33(35)37-20-9-15-28(31(44)39-23-24-16-18-27(42)19-17-24)40-32(45)30(25-11-5-3-6-12-25)26-13-7-4-8-14-26;3-2(4,5)1(6)7/h3-8,11-14,16-19,28,30,42H,2,9-10,15,20-23H2,1H3,(H,36,43)(H,39,44)(H,40,45)(H4,35,37,38,41,46);(H,6,7)/t28-;/m1./s1
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| InChIKey |
GKKQGWIYMDXHHO-LNLSOMNWSA-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