General Information of the Compound
| Compound ID |
CP0552789
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| Compound Name |
3-chloro-5-[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]-1H-pyrrolo[2,3-b]pyridine
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| Structure |
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| Formula |
C21H26ClN5O
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| Molecular Weight |
399.926
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| Canonical SMILES |
CC(C)n1nc(cc1C1CCN(CC1)C1COC1)-c1cnc2[nH]cc(Cl)c2c1
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| InChI |
InChI=1S/C21H26ClN5O/c1-13(2)27-20(14-3-5-26(6-4-14)16-11-28-12-16)8-19(25-27)15-7-17-18(22)10-24-21(17)23-9-15/h7-10,13-14,16H,3-6,11-12H2,1-2H3,(H,23,24)
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| InChIKey |
HQDGTLMALQFOMM-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: PT02542, Mitogen-activated protein kinase kinase kinase 12