General Information of the Compound
| Compound ID |
CP0043368
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| Compound Name |
2-(3,5-Dimethyl-phenyl)-3-[2-(4-pyridin-4-yl-butylamino)-ethyl]-1H-indole-5-carboxylic acid diethylamide
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| Structure |
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| Formula |
C32H40N4O
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| Molecular Weight |
496.699
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| Canonical SMILES |
CCN(CC)C(=O)c1ccc2[nH]c(c(CCNCCCCc3ccncc3)c2c1)-c1cc(C)cc(C)c1
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| InChI |
InChI=1S/C32H40N4O/c1-5-36(6-2)32(37)26-10-11-30-29(22-26)28(31(35-30)27-20-23(3)19-24(4)21-27)14-18-33-15-8-7-9-25-12-16-34-17-13-25/h10-13,16-17,19-22,33,35H,5-9,14-15,18H2,1-4H3
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| InChIKey |
VOXWQNPTPTZQPX-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