General Information of the Compound
| Compound ID |
CP0559452
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| Compound Name |
5-[(4-fluorobenzoyl)amino]-N,N-dimethyl-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxamide
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| Structure |
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| Formula |
C20H25FN4O2
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| Molecular Weight |
372.444
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| Canonical SMILES |
CCCn1nc(C(=O)N(C)C)c2CC(CCc12)NC(=O)c1ccc(F)cc1
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| InChI |
InChI=1S/C20H25FN4O2/c1-4-11-25-17-10-9-15(12-16(17)18(23-25)20(27)24(2)3)22-19(26)13-5-7-14(21)8-6-13/h5-8,15H,4,9-12H2,1-3H3,(H,22,26)
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| InChIKey |
VYXYWEODDXYKMZ-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