General Information of the Compound
| Compound ID |
CP0465243
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| Compound Name |
(2R,3R)-2-N-[(2S)-2-[(4-tert-butylcyclohexyl)methylamino]pentyl]-1-N,3-dimethylpentane-1,2-diamine
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| Structure |
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| Formula |
C23H49N3
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| Molecular Weight |
367.666
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| Canonical SMILES |
CCC[C@@H](CN[C@@H](CNC)[C@H](C)CC)NCC1CCC(CC1)C(C)(C)C
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| InChI |
InChI=1S/C23H49N3/c1-8-10-21(16-26-22(17-24-7)18(3)9-2)25-15-19-11-13-20(14-12-19)23(4,5)6/h18-22,24-26H,8-17H2,1-7H3/t18-,19?,20?,21+,22+/m1/s1
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| InChIKey |
HRJAFSMLTYZGNF-XGQIVCTBSA-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