General Information of the Compound
| Compound ID |
CP0439555
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| Compound Name |
(2R,3R)-2-N-[(2R)-2-[2-[3,5-bis(trifluoromethyl)phenyl]ethylamino]pentyl]-1-N,3-dimethylpentane-1,2-diamine
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| Structure |
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| Formula |
C22H35F6N3
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| Molecular Weight |
455.531
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| Canonical SMILES |
CCC[C@H](CN[C@@H](CNC)[C@H](C)CC)NCCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C22H35F6N3/c1-5-7-19(13-31-20(14-29-4)15(3)6-2)30-9-8-16-10-17(21(23,24)25)12-18(11-16)22(26,27)28/h10-12,15,19-20,29-31H,5-9,13-14H2,1-4H3/t15-,19-,20+/m1/s1
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| InChIKey |
AXLWFHULRPHJTF-YSGRDPCXSA-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
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06124, Paired box protein Pax-8