General Information of the Compound
| Compound ID |
CP0479543
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| Compound Name |
N-(diaminomethylidene)-4-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C19H25F3N4O2
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| Molecular Weight |
398.429
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| Canonical SMILES |
CC(C)(C)C(=O)N1CCC(CC1)c1ccc(cc1C(F)(F)F)C(=O)NC(N)=N
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| InChI |
InChI=1S/C19H25F3N4O2/c1-18(2,3)16(28)26-8-6-11(7-9-26)13-5-4-12(15(27)25-17(23)24)10-14(13)19(20,21)22/h4-5,10-11H,6-9H2,1-3H3,(H4,23,24,25,27)
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| InChIKey |
GCFQTXXNPYVOLQ-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
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2
Protein ID: PT03805, Sodium/hydrogen exchanger 1