General Information of the Compound
| Compound ID |
CP0521099
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| Compound Name |
N-(2-acetamidoethyl)-N-benzyl-8-butan-2-yl-1-methyl-4H-chromeno[4,3-c]pyrazole-3-carboxamide
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| Structure |
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| Formula |
C27H32N4O3
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| Molecular Weight |
460.578
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| Canonical SMILES |
CCC(C)c1ccc2OCc3c(nn(C)c3-c2c1)C(=O)N(CCNC(C)=O)Cc1ccccc1
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| InChI |
InChI=1S/C27H32N4O3/c1-5-18(2)21-11-12-24-22(15-21)26-23(17-34-24)25(29-30(26)4)27(33)31(14-13-28-19(3)32)16-20-9-7-6-8-10-20/h6-12,15,18H,5,13-14,16-17H2,1-4H3,(H,28,32)
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| InChIKey |
QYPXPQNPAVMDSX-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