General Information of the Compound
| Compound ID |
CP0796446
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| Compound Name |
2-(1H-indol-7-ylamino)-6-((1R,2S)-2-aminocyclohexylamino)nicotinamide
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| Structure |
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| Formula |
C20H24N6O
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| Molecular Weight |
364.453
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| Canonical SMILES |
NC(=O)c1ccc(N[C@@H]2CCCC[C@@H]2N)nc1Nc1cccc2cc[nH]c12
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| InChI |
InChI=1S/C20H24N6O/c21-14-5-1-2-6-15(14)24-17-9-8-13(19(22)27)20(26-17)25-16-7-3-4-12-10-11-23-18(12)16/h3-4,7-11,14-15,23H,1-2,5-6,21H2,(H2,22,27)(H2,24,25,26)/t14-,15+/m0/s1
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| InChIKey |
KPYOXUIJDUDMCZ-LSDHHAIUSA-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: PT00897, Potassium voltage-gated channel subfamily H member 2
Protein ID: PT01441, Tyrosine-protein kinase SYK
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000764 | Bone marrow macrophage immortalized C57BL/6 | Mus musculus (Mouse) | 1 |
| 1 |
IC50 > 10000 nM
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TI
LI
LO
TS
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