General Information of the Compound
| Compound ID |
CP0540924
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| Compound Name |
N-(diaminomethylidene)-4-[1-[3-(1,3-oxazol-5-yl)benzoyl]piperidin-4-yl]-3-(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C24H22F3N5O3
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| Molecular Weight |
485.466
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| Canonical SMILES |
NC(=N)NC(=O)c1ccc(C2CCN(CC2)C(=O)c2cccc(c2)-c2cnco2)c(c1)C(F)(F)F
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| InChI |
InChI=1S/C24H22F3N5O3/c25-24(26,27)19-11-16(21(33)31-23(28)29)4-5-18(19)14-6-8-32(9-7-14)22(34)17-3-1-2-15(10-17)20-12-30-13-35-20/h1-5,10-14H,6-9H2,(H4,28,29,31,33)
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| InChIKey |
XRULFOFIOBXDAX-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