General Information of the Compound
| Compound ID |
CP0928362
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| Compound Name |
N-{4-[(6-Fluoro-1-pyridin-3-ylmethyl-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-methyl]-cyclohexylmethyl}-benzenesulfonamide
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| Formula |
C30H36FN3O2S
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| Molecular Weight |
521.702
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| Canonical SMILES |
O=S(=O)(NC[C@H]1CC[C@H](CNC2CCc3cc(F)ccc3C2Cc2cccnc2)CC1)c1ccccc1
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| InChI |
InChI=1S/C30H36FN3O2S/c31-26-13-14-28-25(18-26)12-15-30(29(28)17-24-5-4-16-32-19-24)33-20-22-8-10-23(11-9-22)21-34-37(35,36)27-6-2-1-3-7-27/h1-7,13-14,16,18-19,22-23,29-30,33-34H,8-12,15,17,20-21H2/t22-,23-,29?,30?
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| InChIKey |
QVZPBSHMFRXZBI-IMONQPJHSA-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