General Information of the Compound
| Compound ID |
CP0834409
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| Compound Name |
3-(4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl)-3-(1-(6-methoxybenzo[d]thiazol-2-yl)piperidin-4-yl)propanenitrile
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| Formula |
C25H24N8OS
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| Molecular Weight |
484.589
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| Canonical SMILES |
COc1ccc2nc(N3CCC(C(CC#N)n4cc(-c5ncnc6[nH]ccc56)cn4)CC3)sc2c1
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| InChI |
InChI=1S/C25H24N8OS/c1-34-18-2-3-20-22(12-18)35-25(31-20)32-10-6-16(7-11-32)21(4-8-26)33-14-17(13-30-33)23-19-5-9-27-24(19)29-15-28-23/h2-3,5,9,12-16,21H,4,6-7,10-11H2,1H3,(H,27,28,29)
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| InChIKey |
PCOYIUXQMCLNDD-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