General Information of the Compound
| Compound ID |
CP0138683
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| Compound Name |
2-[5-(difluoromethoxy)-1-[3-(dimethylamino)propyl]indazol-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 |
C24H29F2N7O3
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| Molecular Weight |
501.538
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| Canonical SMILES |
CN(C)CCCn1nc(-c2cnc3[nH]cc(C(=O)NC(C)(C)CO)c3n2)c2cc(OC(F)F)ccc12
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| InChI |
InChI=1S/C24H29F2N7O3/c1-24(2,13-34)30-22(35)16-11-27-21-20(16)29-17(12-28-21)19-15-10-14(36-23(25)26)6-7-18(15)33(31-19)9-5-8-32(3)4/h6-7,10-12,23,34H,5,8-9,13H2,1-4H3,(H,27,28)(H,30,35)
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| InChIKey |
CMIKJDRGVKWQER-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