General Information of the Compound
| Compound ID |
CP0959940
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| Compound Name |
3-{4-[(3R)-3-Aminopiperidin-1-yl]-8-fluoroquinolin-6-yl}-N-(pyrimidin-5-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide hydrochloride
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| Structure |
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| Formula |
C27H26ClFN8O
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| Molecular Weight |
533.011
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| Canonical SMILES |
Cl.N[C@@H]1CCCN(c2ccnc3c(F)cc(-c4c[nH]c5ncc(C(=O)NCc6cncnc6)cc45)cc23)C1
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| InChI |
InChI=1S/C27H25FN8O.ClH/c28-23-8-17(6-21-24(3-4-32-25(21)23)36-5-1-2-19(29)14-36)22-13-34-26-20(22)7-18(12-33-26)27(37)35-11-16-9-30-15-31-10-16;/h3-4,6-10,12-13,15,19H,1-2,5,11,14,29H2,(H,33,34)(H,35,37);1H/t19-;/m1./s1
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| InChIKey |
ZEJZYNWWSBPCNF-FSRHSHDFSA-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: PT01592, Dual specificity tyrosine-phosphorylation-regulated kinase 1A
Protein ID: PT01056, Dual specificity tyrosine-phosphorylation-regulated kinase 1B