General Information of the Compound
| Compound ID |
CP0088579
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| Compound Name |
1-[4-[3-methoxy-4-[[4-(1H-pyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]ethanone
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| Structure |
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| Formula |
C24H25N7O2
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| Molecular Weight |
443.511
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| Canonical SMILES |
COc1cc(ccc1Nc1nccc(n1)-c1c[nH]c2cnccc12)N1CCN(CC1)C(C)=O
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| InChI |
InChI=1S/C24H25N7O2/c1-16(32)30-9-11-31(12-10-30)17-3-4-21(23(13-17)33-2)29-24-26-8-6-20(28-24)19-14-27-22-15-25-7-5-18(19)22/h3-8,13-15,27H,9-12H2,1-2H3,(H,26,28,29)
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| InChIKey |
KSIRCFGDZWDBAM-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