General Information of the Compound
| Compound ID |
CP0471261
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| Compound Name |
[8-(benzenesulfonyl)-2,8-diazaspiro[4.5]decan-2-yl]-(4-cyclobutylpiperazin-1-yl)methanone
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| Structure |
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| Formula |
C23H34N4O3S
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| Molecular Weight |
446.617
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| Canonical SMILES |
O=C(N1CCC2(C1)CCN(CC2)S(=O)(=O)c1ccccc1)N1CCN(CC1)C1CCC1
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| InChI |
InChI=1S/C23H34N4O3S/c28-22(25-17-15-24(16-18-25)20-5-4-6-20)26-12-9-23(19-26)10-13-27(14-11-23)31(29,30)21-7-2-1-3-8-21/h1-3,7-8,20H,4-6,9-19H2
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| InChIKey |
KDYDHWYTALNWKT-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