General Information of the Compound
| Compound ID |
CP0493141
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| Compound Name |
2-[3-(3-chlorophenyl)-7-[3-(dimethylamino)piperidin-1-yl]-1-oxopyrrolo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide
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| Structure |
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| Formula |
C25H32ClN5O2
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| Molecular Weight |
470.017
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| Canonical SMILES |
CC(C)NC(=O)Cn1c(cn2cc(cc2c1=O)N1CCCC(C1)N(C)C)-c1cccc(Cl)c1
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| InChI |
InChI=1S/C25H32ClN5O2/c1-17(2)27-24(32)16-31-23(18-7-5-8-19(26)11-18)15-30-14-21(12-22(30)25(31)33)29-10-6-9-20(13-29)28(3)4/h5,7-8,11-12,14-15,17,20H,6,9-10,13,16H2,1-4H3,(H,27,32)
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| InChIKey |
TVMWULMYUKTHDZ-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