General Information of the Compound
| Compound ID |
CP0451355
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| Compound Name |
N-[(E,2R)-1-(4,5-dibromothiophen-2-yl)-5-oxo-5-[[(3R)-2-oxoazepan-3-yl]amino]pent-3-en-2-yl]-N-methyl-3,5-bis(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C25H23Br2F6N3O3S
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| Molecular Weight |
719.34
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| Canonical SMILES |
CN([C@H](Cc1cc(Br)c(Br)s1)\C=C\C(=O)N[C@@H]1CCCCNC1=O)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C25H23Br2F6N3O3S/c1-36(23(39)13-8-14(24(28,29)30)10-15(9-13)25(31,32)33)16(11-17-12-18(26)21(27)40-17)5-6-20(37)35-19-4-2-3-7-34-22(19)38/h5-6,8-10,12,16,19H,2-4,7,11H2,1H3,(H,34,38)(H,35,37)/b6-5+/t16-,19+/m0/s1
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| InChIKey |
HHWCTCWUXQCOHR-RIOIIYTLSA-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