General Information of the Compound
| Compound ID |
CP0524406
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| Compound Name |
(S)-N-(3,5-bis(trifluoromethyl)benzyl)-2-(2-(dimethylamino)ethylamino)-2-(thiophen-2-yl)acetamide
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| Structure |
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| Formula |
C19H21F6N3OS
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| Molecular Weight |
453.452
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| Canonical SMILES |
CN(C)CCN[C@@H](C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cccs1
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| InChI |
InChI=1S/C19H21F6N3OS/c1-28(2)6-5-26-16(15-4-3-7-30-15)17(29)27-11-12-8-13(18(20,21)22)10-14(9-12)19(23,24)25/h3-4,7-10,16,26H,5-6,11H2,1-2H3,(H,27,29)/t16-/m1/s1
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| InChIKey |
ROWNFEBZZBSCLU-MRXNPFEDSA-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