General Information of the Compound
| Compound ID |
CP0088580
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| Compound Name |
1-[4-[3-methoxy-4-[[6-(1-methylpyrrolo[2,3-c]pyridin-3-yl)pyrimidin-4-yl]amino]phenyl]piperazin-1-yl]ethanone
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| Structure |
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| Formula |
C25H27N7O2
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| Molecular Weight |
457.538
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| Canonical SMILES |
COc1cc(ccc1Nc1cc(ncn1)-c1cn(C)c2cnccc12)N1CCN(CC1)C(C)=O
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| InChI |
InChI=1S/C25H27N7O2/c1-17(33)31-8-10-32(11-9-31)18-4-5-21(24(12-18)34-3)29-25-13-22(27-16-28-25)20-15-30(2)23-14-26-7-6-19(20)23/h4-7,12-16H,8-11H2,1-3H3,(H,27,28,29)
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| InChIKey |
FAJUKMUPSMAZEK-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