General Information of the Compound
| Compound ID |
CP0201359
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| Compound Name |
(2R,3R)-1-N,3-dimethyl-2-N-[(2R)-3-naphthalen-1-yl-2-[2-[3-(trifluoromethyl)phenyl]ethylamino]propyl]pentane-1,2-diamine
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| Structure |
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| Formula |
C29H38F3N3
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| Molecular Weight |
485.638
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| Canonical SMILES |
CC[C@@H](C)[C@H](CNC)NC[C@@H](Cc1cccc2ccccc12)NCCc1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C29H38F3N3/c1-4-21(2)28(20-33-3)35-19-26(18-24-12-8-11-23-10-5-6-14-27(23)24)34-16-15-22-9-7-13-25(17-22)29(30,31)32/h5-14,17,21,26,28,33-35H,4,15-16,18-20H2,1-3H3/t21-,26-,28+/m1/s1
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| InChIKey |
ZFKQBJHCEJBGQT-RZLJKOCPSA-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