General Information of the Compound
| Compound ID |
CP0429075
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| Compound Name |
1-[6-[(2R)-4-[1-[[3-(2-methoxyethoxy)phenyl]methyl]-3-methylthieno[2,3-c]pyrazole-5-carbonyl]-2-methylpiperazin-1-yl]pyridin-3-yl]ethanone
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| Structure |
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| Formula |
C29H33N5O4S
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| Molecular Weight |
547.681
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| Canonical SMILES |
COCCOc1cccc(Cn2nc(C)c3cc(sc23)C(=O)N2CCN([C@H](C)C2)c2ccc(cn2)C(C)=O)c1
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| InChI |
InChI=1S/C29H33N5O4S/c1-19-17-32(10-11-33(19)27-9-8-23(16-30-27)21(3)35)28(36)26-15-25-20(2)31-34(29(25)39-26)18-22-6-5-7-24(14-22)38-13-12-37-4/h5-9,14-16,19H,10-13,17-18H2,1-4H3/t19-/m1/s1
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| InChIKey |
PUPMNXBFTVWIDT-LJQANCHMSA-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