General Information of the Compound
| Compound ID |
CP0429300
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| Compound Name |
3-[N'-(3,5-Bis-trifluoromethyl-benzoyl)-N-(4,5-dibromo-thiophen-2-ylmethyl)-N'-methyl-hydrazino]-N-((R)-2-oxo-azepan-3-yl)-propionamide
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| Structure |
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| Formula |
C24H24Br2F6N4O3S
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| Molecular Weight |
722.344
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| Canonical SMILES |
CN(N(CCC(=O)N[C@@H]1CCCCNC1=O)Cc1cc(Br)c(Br)s1)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C24H24Br2F6N4O3S/c1-35(22(39)13-8-14(23(27,28)29)10-15(9-13)24(30,31)32)36(12-16-11-17(25)20(26)40-16)7-5-19(37)34-18-4-2-3-6-33-21(18)38/h8-11,18H,2-7,12H2,1H3,(H,33,38)(H,34,37)/t18-/m1/s1
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| InChIKey |
FUGAUMFXDDXKOJ-GOSISDBHSA-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