General Information of the Compound
| Compound ID |
CP0574398
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| Compound Name |
(2R)-5-[[(2-acetamidoethylcarbamoylamino)-aminomethylidene]amino]-2-[(2,2-diphenylacetyl)amino]-N-[(4-hydroxyphenyl)methyl]pentanamide;2,2,2-trifluoroacetic acid
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| Formula |
C34H40F3N7O7
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| Molecular Weight |
715.73
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| Canonical SMILES |
OC(=O)C(F)(F)F.CC(=O)NCCNC(=O)\N=C(\N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1
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| InChI |
InChI=1S/C32H39N7O5.C2HF3O2/c1-22(40)34-19-20-36-32(44)39-31(33)35-18-8-13-27(29(42)37-21-23-14-16-26(41)17-15-23)38-30(43)28(24-9-4-2-5-10-24)25-11-6-3-7-12-25;3-2(4,5)1(6)7/h2-7,9-12,14-17,27-28,41H,8,13,18-21H2,1H3,(H,34,40)(H,37,42)(H,38,43)(H4,33,35,36,39,44);(H,6,7)/t27-;/m1./s1
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| InChIKey |
UGLKCDXPKTXNIK-HZPIKELBSA-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