General Information of the Compound
| Compound ID |
CP0446233
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| Compound Name |
N-(diaminomethylidene)-4-[1-[4-(dimethylcarbamoyl)benzoyl]piperidin-4-yl]-3-(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C24H26F3N5O3
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| Molecular Weight |
489.498
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| Canonical SMILES |
CN(C)C(=O)c1ccc(cc1)C(=O)N1CCC(CC1)c1ccc(cc1C(F)(F)F)C(=O)NC(N)=N
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| InChI |
InChI=1S/C24H26F3N5O3/c1-31(2)21(34)15-3-5-16(6-4-15)22(35)32-11-9-14(10-12-32)18-8-7-17(20(33)30-23(28)29)13-19(18)24(25,26)27/h3-8,13-14H,9-12H2,1-2H3,(H4,28,29,30,33)
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| InChIKey |
ADLMRNIWWIXEDK-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