General Information of the Compound
| Compound ID |
CP0551789
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| Compound Name |
(2R)-5-[[amino-[2-[(2-bromoacetyl)amino]ethylcarbamoylamino]methylidene]amino]-2-[(2,2-diphenylacetyl)amino]-N-[(4-hydroxyphenyl)methyl]pentanamide;2,2,2-trifluoroacetic acid
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| Formula |
C34H39BrF3N7O7
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| Molecular Weight |
794.626
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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)CBr
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| InChI |
InChI=1S/C32H38BrN7O5.C2HF3O2/c33-20-27(42)35-18-19-37-32(45)40-31(34)36-17-7-12-26(29(43)38-21-22-13-15-25(41)16-14-22)39-30(44)28(23-8-3-1-4-9-23)24-10-5-2-6-11-24;3-2(4,5)1(6)7/h1-6,8-11,13-16,26,28,41H,7,12,17-21H2,(H,35,42)(H,38,43)(H,39,44)(H4,34,36,37,40,45);(H,6,7)/t26-;/m1./s1
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| InChIKey |
HUKHNHCRQZFHAS-UFTMZEDQSA-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