General Information of the Compound
| Compound ID |
CP0535419
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| Compound Name |
1-cyclopropyl-3-[4-[1-(oxan-4-yl)pyrrolo[2,3-c]pyridin-3-yl]pyridin-2-yl]urea
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| Structure |
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| Formula |
C21H23N5O2
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| Molecular Weight |
377.448
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| Canonical SMILES |
O=C(NC1CC1)Nc1cc(ccn1)-c1cn(C2CCOCC2)c2cnccc12
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| InChI |
InChI=1S/C21H23N5O2/c27-21(24-15-1-2-15)25-20-11-14(3-8-23-20)18-13-26(16-5-9-28-10-6-16)19-12-22-7-4-17(18)19/h3-4,7-8,11-13,15-16H,1-2,5-6,9-10H2,(H2,23,24,25,27)
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| InChIKey |
XYBONUYZXAAEMM-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: PT01592, Dual specificity tyrosine-phosphorylation-regulated kinase 1A
Protein ID: PT00962, Glycogen synthase kinase-3 beta
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2