General Information of the Compound
| Compound ID |
CP0903742
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| Compound Name |
exo-(S)-3-(4-chlorophenyl)-2-(4-methoxy-2,3,6-trimethylphenylsulfonamido)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propanamide
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| Formula |
C27H36ClN3O4S
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| Molecular Weight |
534.122
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| Canonical SMILES |
COc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H]2C[C@H]3CC[C@@H](C2)N3C)c(C)c1C
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| InChI |
InChI=1S/C27H36ClN3O4S/c1-16-12-25(35-5)17(2)18(3)26(16)36(33,34)30-24(13-19-6-8-20(28)9-7-19)27(32)29-21-14-22-10-11-23(15-21)31(22)4/h6-9,12,21-24,30H,10-11,13-15H2,1-5H3,(H,29,32)/t21-,22-,23+,24-/m0/s1
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| InChIKey |
ABECTNWXRXHWDP-XQUALCHDSA-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