General Information of the Compound
| Compound ID |
CP0514869
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| Compound Name |
2-[3-(3-chlorophenyl)-7-[4-[2-(dimethylamino)ethyl]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 |
C27H36ClN5O2
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| Molecular Weight |
498.071
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| Canonical SMILES |
CC(C)NC(=O)Cn1c(cn2cc(cc2c1=O)N1CCC(CCN(C)C)CC1)-c1cccc(Cl)c1
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| InChI |
InChI=1S/C27H36ClN5O2/c1-19(2)29-26(34)18-33-25(21-6-5-7-22(28)14-21)17-32-16-23(15-24(32)27(33)35)31-12-9-20(10-13-31)8-11-30(3)4/h5-7,14-17,19-20H,8-13,18H2,1-4H3,(H,29,34)
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| InChIKey |
JBVKIZVWNUYJTQ-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