General Information of the Compound
| Compound ID |
CP0350169
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| Compound Name |
(R)-2-amino-1-(4-(2-((S)-1-amino-3-methylbutyl)-4-(trifluoromethyl)phenyl)piperazin-1-yl)-3-(2,4-dichlorophenyl)propan-1-one
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| Structure |
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| Formula |
C25H31Cl2F3N4O
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| Molecular Weight |
531.45
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| Canonical SMILES |
CC(C)C[C@H](N)c1cc(ccc1N1CCN(CC1)C(=O)[C@H](N)Cc1ccc(Cl)cc1Cl)C(F)(F)F
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| InChI |
InChI=1S/C25H31Cl2F3N4O/c1-15(2)11-21(31)19-13-17(25(28,29)30)4-6-23(19)33-7-9-34(10-8-33)24(35)22(32)12-16-3-5-18(26)14-20(16)27/h3-6,13-15,21-22H,7-12,31-32H2,1-2H3/t21-,22+/m0/s1
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| InChIKey |
SZFCZNQFLVLSTR-FCHUYYIVSA-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