General Information of the Compound
| Compound ID |
CP0394530
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| Compound Name |
9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,3,4,4a,9,9a-hexahydro-1H-carbazole
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| Structure |
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| Formula |
C18H18N4
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| Molecular Weight |
290.37
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| Canonical SMILES |
C1CCC2C(C1)N(c1ccccc21)c1ncnc2[nH]ccc12
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| InChI |
InChI=1S/C18H18N4/c1-3-7-15-12(5-1)13-6-2-4-8-16(13)22(15)18-14-9-10-19-17(14)20-11-21-18/h1,3,5,7,9-11,13,16H,2,4,6,8H2,(H,19,20,21)
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| InChIKey |
QKYQEWXQVQGDJR-UHFFFAOYSA-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: PT01659, Tyrosine-protein kinase JAK1
Protein ID: PT00892, Tyrosine-protein kinase JAK3