General Information of the Compound
Compound ID |
CP0202246
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Compound Name |
(S)-N-(2-(3-(2,4-dimethylbenzylamino)-1-(tert-butylamino)-1-oxopropan-2-ylamino)-2-oxoethyl)-2-(ethylamino)-5-(trifluoromethyl)benzamide
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Structure |
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Formula |
C28H38F3N5O3
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Molecular Weight |
549.638
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Canonical SMILES |
CCNc1ccc(cc1C(=O)NCC(=O)N[C@@H](CNCc1ccc(C)cc1C)C(=O)NC(C)(C)C)C(F)(F)F
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InChI |
InChI=1S/C28H38F3N5O3/c1-7-33-22-11-10-20(28(29,30)31)13-21(22)25(38)34-16-24(37)35-23(26(39)36-27(4,5)6)15-32-14-19-9-8-17(2)12-18(19)3/h8-13,23,32-33H,7,14-16H2,1-6H3,(H,34,38)(H,35,37)(H,36,39)/t23-/m0/s1
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InChIKey |
ONYNFACZHHCTDA-QHCPKHFHSA-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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