General Information of the Compound
| Compound ID |
CP0551791
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| Compound Name |
(2R)-5-[[amino-[2-[(2-phenylacetyl)amino]ethylcarbamoylamino]methylidene]amino]-2-[(2,2-diphenylacetyl)amino]-N-[(4-hydroxyphenyl)methyl]pentanamide;2,2,2-trifluoroacetic acid
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| Formula |
C40H44F3N7O7
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| Molecular Weight |
791.828
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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)Cc1ccccc1
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| InChI |
InChI=1S/C38H43N7O5.C2HF3O2/c39-37(45-38(50)42-24-23-40-33(47)25-27-11-4-1-5-12-27)41-22-10-17-32(35(48)43-26-28-18-20-31(46)21-19-28)44-36(49)34(29-13-6-2-7-14-29)30-15-8-3-9-16-30;3-2(4,5)1(6)7/h1-9,11-16,18-21,32,34,46H,10,17,22-26H2,(H,40,47)(H,43,48)(H,44,49)(H4,39,41,42,45,50);(H,6,7)/t32-;/m1./s1
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| InChIKey |
AKYCNEXILNNXES-RYWNGCACSA-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