General Information of the Compound
| Compound ID |
CP0411878
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| Compound Name |
2-[3-(3-chlorophenyl)-7-(4-methyl-1,4-diazepan-1-yl)-1-oxopyrrolo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide
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| Structure |
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| Formula |
C24H30ClN5O2
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| Molecular Weight |
455.99
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| Canonical SMILES |
CC(C)NC(=O)Cn1c(cn2cc(cc2c1=O)N1CCCN(C)CC1)-c1cccc(Cl)c1
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| InChI |
InChI=1S/C24H30ClN5O2/c1-17(2)26-23(31)16-30-22(18-6-4-7-19(25)12-18)15-29-14-20(13-21(29)24(30)32)28-9-5-8-27(3)10-11-28/h4,6-7,12-15,17H,5,8-11,16H2,1-3H3,(H,26,31)
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| InChIKey |
VAPHXTXJSXNLMP-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