General Information of the Compound
| Compound ID |
CP0332602
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| Compound Name |
2-(3,5-Dimethyl-phenyl)-3-[2-(4-pyridin-4-yl-butylamino)-ethyl]-1H-indole-5-carboxylic acid cyclooctyl-ethyl-amide
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| Structure |
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| Formula |
C38H50N4O
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| Molecular Weight |
578.845
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| Canonical SMILES |
CCN(C1CCCCCCC1)C(=O)c1ccc2[nH]c(c(CCNCCCCc3ccncc3)c2c1)-c1cc(C)cc(C)c1
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| InChI |
InChI=1S/C38H50N4O/c1-4-42(33-13-8-6-5-7-9-14-33)38(43)31-15-16-36-35(27-31)34(37(41-36)32-25-28(2)24-29(3)26-32)19-23-39-20-11-10-12-30-17-21-40-22-18-30/h15-18,21-22,24-27,33,39,41H,4-14,19-20,23H2,1-3H3
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| InChIKey |
TZGAOWYHZPASDV-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