General Information of the Compound
| Compound ID |
CP0297942
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| Compound Name |
2-(3,5-Dimethyl-phenyl)-3-[2-(4-pyridin-4-yl-butylamino)-ethyl]-1H-indole-5-carboxylic acid bis-(2,2,2-trifluoro-ethyl)-amide
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| Structure |
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| Formula |
C32H34F6N4O
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| Molecular Weight |
604.639
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| Canonical SMILES |
Cc1cc(C)cc(c1)-c1[nH]c2ccc(cc2c1CCNCCCCc1ccncc1)C(=O)N(CC(F)(F)F)CC(F)(F)F
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| InChI |
InChI=1S/C32H34F6N4O/c1-21-15-22(2)17-25(16-21)29-26(10-14-39-11-4-3-5-23-8-12-40-13-9-23)27-18-24(6-7-28(27)41-29)30(43)42(19-31(33,34)35)20-32(36,37)38/h6-9,12-13,15-18,39,41H,3-5,10-11,14,19-20H2,1-2H3
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| InChIKey |
OSCQMJZSGJEONT-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