General Information of the Compound
| Compound ID |
CP0946874
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| Compound Name |
2-Fluoro-N-{4-[(6-methoxy-1-pyridin-3-ylmethyl-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-methyl]-cyclohexylmethyl}-benzenesulfonamide
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| Formula |
C31H38FN3O3S
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| Molecular Weight |
551.728
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| Canonical SMILES |
COc1ccc2c(c1)CCC(NC[C@H]1CC[C@H](CNS(=O)(=O)c3ccccc3F)CC1)C2Cc1cccnc1
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| InChI |
InChI=1S/C31H38FN3O3S/c1-38-26-13-14-27-25(18-26)12-15-30(28(27)17-24-5-4-16-33-19-24)34-20-22-8-10-23(11-9-22)21-35-39(36,37)31-7-3-2-6-29(31)32/h2-7,13-14,16,18-19,22-23,28,30,34-35H,8-12,15,17,20-21H2,1H3/t22-,23-,28?,30?
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| InChIKey |
MLYRHNXZZOQUCZ-VZMJXAAZSA-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