General Information of the Compound
| Compound ID |
CP0459246
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| Compound Name |
(2-Amino-3-methyl-phenyl)-{4-[4-(propane-2-sulfonyl)-benzyl]-[1,4']bipiperidinyl-1'-yl}-methanone
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| Structure |
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| Formula |
C28H39N3O3S
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| Molecular Weight |
497.705
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| Canonical SMILES |
CC(C)S(=O)(=O)c1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2cccc(C)c2N)cc1
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| InChI |
InChI=1S/C28H39N3O3S/c1-20(2)35(33,34)25-9-7-22(8-10-25)19-23-11-15-30(16-12-23)24-13-17-31(18-14-24)28(32)26-6-4-5-21(3)27(26)29/h4-10,20,23-24H,11-19,29H2,1-3H3
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| InChIKey |
VUJDEKSBOVBNCV-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