General Information of the Compound
| Compound ID |
CP0525013
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| Compound Name |
N-cyclohexyl-N-(2-morpholin-4-ylethoxy)-7-(pyridin-3-ylmethylcarbamothioylamino)heptanamide
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| Structure |
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| Formula |
C26H43N5O3S
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| Molecular Weight |
505.729
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| Canonical SMILES |
O=C(CCCCCCNC(=S)NCc1cccnc1)N(OCCN1CCOCC1)C1CCCCC1
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| InChI |
InChI=1S/C26H43N5O3S/c32-25(12-6-1-2-7-14-28-26(35)29-22-23-9-8-13-27-21-23)31(24-10-4-3-5-11-24)34-20-17-30-15-18-33-19-16-30/h8-9,13,21,24H,1-7,10-12,14-20,22H2,(H2,28,29,35)
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| InChIKey |
VLKBRUXNJMDSKA-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