General Information of the Compound
| Compound ID |
CP0356625
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| Compound Name |
(1S,3R,4R,6R)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-4-[4-(1H-pyrazol-5-yl)benzoyl]bicyclo[4.1.0]heptane-3-carboxamide
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| Structure |
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| Formula |
C23H22F3N5O2
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| Molecular Weight |
457.456
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| Canonical SMILES |
Cn1cc(NC(=O)[C@@H]2C[C@@H]3C[C@@H]3C[C@H]2C(=O)c2ccc(cc2)-c2cc[nH]n2)c(n1)C(F)(F)F
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| InChI |
InChI=1S/C23H22F3N5O2/c1-31-11-19(21(30-31)23(24,25)26)28-22(33)17-10-15-8-14(15)9-16(17)20(32)13-4-2-12(3-5-13)18-6-7-27-29-18/h2-7,11,14-17H,8-10H2,1H3,(H,27,29)(H,28,33)/t14-,15+,16-,17-/m1/s1
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| InChIKey |
YRQMZPSYSRETPM-YYIAUSFCSA-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