General Information of the Compound
| Compound ID |
CP0376521
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| Compound Name |
2-{2-(3,5-Dimethyl-phenyl)-3-[2-(4-pyridin-3-yl-butylamino)-ethyl]-1H-indol-5-yl}-isobutyramide
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| Structure |
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| Formula |
C31H38N4O
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| Molecular Weight |
482.672
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| Canonical SMILES |
Cc1cc(C)cc(c1)-c1[nH]c2ccc(cc2c1CCNCCCCc1cccnc1)C(C)(C)C(N)=O
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| InChI |
InChI=1S/C31H38N4O/c1-21-16-22(2)18-24(17-21)29-26(12-15-33-13-6-5-8-23-9-7-14-34-20-23)27-19-25(10-11-28(27)35-29)31(3,4)30(32)36/h7,9-11,14,16-20,33,35H,5-6,8,12-13,15H2,1-4H3,(H2,32,36)
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| InChIKey |
TUOFVUVNBINXHS-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