General Information of the Compound
| Compound ID |
CP0522731
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| Compound Name |
2-[3-(3-chlorophenyl)-7-(1-methyl-1,7-diazaspiro[4.4]nonan-7-yl)-1-oxopyrrolo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide
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| Structure |
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| Formula |
C26H32ClN5O2
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| Molecular Weight |
482.028
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| Canonical SMILES |
CC(C)NC(=O)Cn1c(cn2cc(cc2c1=O)N1CCC2(CCCN2C)C1)-c1cccc(Cl)c1
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| InChI |
InChI=1S/C26H32ClN5O2/c1-18(2)28-24(33)16-32-23(19-6-4-7-20(27)12-19)15-31-14-21(13-22(31)25(32)34)30-11-9-26(17-30)8-5-10-29(26)3/h4,6-7,12-15,18H,5,8-11,16-17H2,1-3H3,(H,28,33)
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| InChIKey |
HKIIZPBXUBBABL-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