General Information of the Compound
| Compound ID |
CP0131615
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| Compound Name |
2-[1-[3-(dimethylamino)propyl]-6-methylindazol-3-yl]-N-(1-hydroxy-2-methylpropan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
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| Structure |
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| Formula |
C24H31N7O2
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| Molecular Weight |
449.559
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| Canonical SMILES |
CN(C)CCCn1nc(-c2cnc3[nH]cc(C(=O)NC(C)(C)CO)c3n2)c2ccc(C)cc12
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| InChI |
InChI=1S/C24H31N7O2/c1-15-7-8-16-19(11-15)31(10-6-9-30(4)5)29-20(16)18-13-26-22-21(27-18)17(12-25-22)23(33)28-24(2,3)14-32/h7-8,11-13,32H,6,9-10,14H2,1-5H3,(H,25,26)(H,28,33)
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| InChIKey |
YVQSMIMOPKDASQ-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