General Information of the Compound
| Compound ID |
CP0411864
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| Compound Name |
1'-[[7-chloro-3-(3-methylsulfonylpropyl)imidazo[1,2-a]pyridin-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one
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| Structure |
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| Formula |
C21H21ClN4O3S
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| Molecular Weight |
444.944
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| Canonical SMILES |
CS(=O)(=O)CCCc1c(CN2C(=O)C3(CC3)c3ccncc23)nc2cc(Cl)ccn12
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| InChI |
InChI=1S/C21H21ClN4O3S/c1-30(28,29)10-2-3-17-16(24-19-11-14(22)5-9-25(17)19)13-26-18-12-23-8-4-15(18)21(6-7-21)20(26)27/h4-5,8-9,11-12H,2-3,6-7,10,13H2,1H3
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| InChIKey |
DIRXTNMVVNCVMX-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