General Information of the Compound
| Compound ID |
CP0916093
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| Compound Name |
N-{4-[(1-Allyl-6-fluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-methyl]-cyclohexylmethyl}-benzenesulfonamide
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| Formula |
C27H35FN2O2S
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| Molecular Weight |
470.654
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| Canonical SMILES |
C=CCC1c2ccc(F)cc2CCC1NC[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1
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| InChI |
InChI=1S/C27H35FN2O2S/c1-2-6-26-25-15-14-23(28)17-22(25)13-16-27(26)29-18-20-9-11-21(12-10-20)19-30-33(31,32)24-7-4-3-5-8-24/h2-5,7-8,14-15,17,20-21,26-27,29-30H,1,6,9-13,16,18-19H2/t20-,21-,26?,27?
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| InChIKey |
ZIYDLWAHMHYRTG-VNJSAXHHSA-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