General Information of the Compound
| Compound ID |
CP0163631
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| Compound Name |
N-(2-acetamidoethyl)-N-benzyl-8-bromo-1,4,4-trimethylchromeno[4,3-c]pyrazole-3-carboxamide
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| Structure |
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| Formula |
C25H27BrN4O3
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| Molecular Weight |
511.42
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| Canonical SMILES |
CC(=O)NCCN(Cc1ccccc1)C(=O)c1nn(C)c-2c1C(C)(C)Oc1ccc(Br)cc-21
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| InChI |
InChI=1S/C25H27BrN4O3/c1-16(31)27-12-13-30(15-17-8-6-5-7-9-17)24(32)22-21-23(29(4)28-22)19-14-18(26)10-11-20(19)33-25(21,2)3/h5-11,14H,12-13,15H2,1-4H3,(H,27,31)
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| InChIKey |
CFUGYMRDZZPXBR-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