General Information of the Compound
| Compound ID |
CP0215141
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| Compound Name |
(S)-N-(2-(3-(2,4-dimethylbenzylamino)-1-amino-1-oxopropan-2-ylamino)-2-oxoethyl)-3-(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C22H25F3N4O3
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| Molecular Weight |
450.461
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| Canonical SMILES |
Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)C(N)=O)c(C)c1
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| InChI |
InChI=1S/C22H25F3N4O3/c1-13-6-7-16(14(2)8-13)10-27-11-18(20(26)31)29-19(30)12-28-21(32)15-4-3-5-17(9-15)22(23,24)25/h3-9,18,27H,10-12H2,1-2H3,(H2,26,31)(H,28,32)(H,29,30)/t18-/m0/s1
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| InChIKey |
KEUFKEFYFXTLDW-SFHVURJKSA-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