General Information of the Compound
| Compound ID |
CP0290421
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| Compound Name |
N-cyclohexyl-2-[2-(3,5-dimethylphenyl)-3-[2-(4-pyridin-4-ylbutylamino)ethyl]-1H-indol-5-yl]-N-ethyl-2-methylpropanamide
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| Structure |
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| Formula |
C39H52N4O
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| Molecular Weight |
592.872
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| Canonical SMILES |
CCN(C1CCCCC1)C(=O)C(C)(C)c1ccc2[nH]c(c(CCNCCCCc3ccncc3)c2c1)-c1cc(C)cc(C)c1
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| InChI |
InChI=1S/C39H52N4O/c1-6-43(33-13-8-7-9-14-33)38(44)39(4,5)32-15-16-36-35(27-32)34(37(42-36)31-25-28(2)24-29(3)26-31)19-23-40-20-11-10-12-30-17-21-41-22-18-30/h15-18,21-22,24-27,33,40,42H,6-14,19-20,23H2,1-5H3
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| InChIKey |
WOVMOKDSVXXEON-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