General Information of the Compound
| Compound ID |
CP0453214
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| Compound Name |
N-methyl-N-[(E,2R)-1-(1-methylindol-3-yl)-5-oxo-5-[[(3R)-2-oxoazepan-3-yl]amino]pent-3-en-2-yl]-3,5-bis(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C30H30F6N4O3
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| Molecular Weight |
608.583
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| Canonical SMILES |
CN([C@H](Cc1cn(C)c2ccccc12)\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/C30H30F6N4O3/c1-39-17-19(23-7-3-4-9-25(23)39)15-22(10-11-26(41)38-24-8-5-6-12-37-27(24)42)40(2)28(43)18-13-20(29(31,32)33)16-21(14-18)30(34,35)36/h3-4,7,9-11,13-14,16-17,22,24H,5-6,8,12,15H2,1-2H3,(H,37,42)(H,38,41)/b11-10+/t22-,24+/m0/s1
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| InChIKey |
UBTBHLFGNMLMCX-GPJZNVRBSA-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