General Information of the Compound
| Compound ID |
CP0776455
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| Compound Name |
4-(1H-indol-7-ylamino)-2-((1R,2S)-2-aminocyclohexylamino)pyrimidine-5-carboxamide
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| Structure |
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| Formula |
C19H23N7O
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| Molecular Weight |
365.441
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| Canonical SMILES |
NC(=O)c1cnc(N[C@@H]2CCCC[C@@H]2N)nc1Nc1cccc2cc[nH]c12
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| InChI |
InChI=1S/C19H23N7O/c20-13-5-1-2-6-14(13)25-19-23-10-12(17(21)27)18(26-19)24-15-7-3-4-11-8-9-22-16(11)15/h3-4,7-10,13-14,22H,1-2,5-6,20H2,(H2,21,27)(H2,23,24,25,26)/t13-,14+/m0/s1
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| InChIKey |
ZACSPUGCHCKXGT-UONOGXRCSA-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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