General Information of the Compound
| Compound ID |
CP0041675
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| Compound Name |
5-amino-N-[2-[(1-cyclopentyl-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3,3,3-trifluoro-2-hydroxypropyl]-1-(2,4-difluorophenyl)pyrazole-4-carboxamide
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| Structure |
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| Formula |
C29H31F5N4O2
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| Molecular Weight |
562.583
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| Canonical SMILES |
Nc1c(cnn1-c1ccc(F)cc1F)C(=O)NCC(O)(CC1(CCCc2ccccc12)C1CCCC1)C(F)(F)F
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| InChI |
InChI=1S/C29H31F5N4O2/c30-20-11-12-24(23(31)14-20)38-25(35)21(15-37-38)26(39)36-17-28(40,29(32,33)34)16-27(19-8-2-3-9-19)13-5-7-18-6-1-4-10-22(18)27/h1,4,6,10-12,14-15,19,40H,2-3,5,7-9,13,16-17,35H2,(H,36,39)
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| InChIKey |
FLEMAWPZKNFCDI-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