General Information of the Compound
| Compound ID |
CP0339336
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| Compound Name |
N-(2-acetamidoethyl)-N-benzyl-8-bromo-1-propan-2-yl-4H-chromeno[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(C)n1nc(C(=O)N(CCNC(C)=O)Cc2ccccc2)c2COc3ccc(Br)cc3-c12
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| InChI |
InChI=1S/C25H27BrN4O3/c1-16(2)30-24-20-13-19(26)9-10-22(20)33-15-21(24)23(28-30)25(32)29(12-11-27-17(3)31)14-18-7-5-4-6-8-18/h4-10,13,16H,11-12,14-15H2,1-3H3,(H,27,31)
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| InChIKey |
TUHOYBHJLSWAIV-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