General Information of the Compound
| Compound ID |
CP0197844
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| Compound Name |
(2S)-1-N-[(2R)-1-cyclohexyl-3-(methylamino)propan-2-yl]-4-methyl-2-N-[2-[3-(trifluoromethyl)phenyl]ethyl]pentane-1,2-diamine
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| Structure |
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| Formula |
C25H42F3N3
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| Molecular Weight |
441.626
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| Canonical SMILES |
CNC[C@@H](CC1CCCCC1)NC[C@H](CC(C)C)NCCc1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C25H42F3N3/c1-19(2)14-23(18-31-24(17-29-3)16-20-8-5-4-6-9-20)30-13-12-21-10-7-11-22(15-21)25(26,27)28/h7,10-11,15,19-20,23-24,29-31H,4-6,8-9,12-14,16-18H2,1-3H3/t23-,24+/m0/s1
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| InChIKey |
AHJHRBOTDGSVSL-BJKOFHAPSA-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: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06124, Paired box protein Pax-8