General Information of the Compound
| Compound ID |
CP0069942
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| Compound Name |
6'-(methylsulfonyl)-N-((trans)-2-phenylcyclopropyl)spiro[azepane-4,2'-chroman]-1-carboxamide
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| Structure |
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| Formula |
C25H30N2O4S
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| Molecular Weight |
454.592
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| Canonical SMILES |
CS(=O)(=O)c1ccc2OC3(CCc2c1)CCCN(CC3)C(=O)N[C@H]1C[C@@H]1c1ccccc1
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| InChI |
InChI=1S/C25H30N2O4S/c1-32(29,30)20-8-9-23-19(16-20)10-12-25(31-23)11-5-14-27(15-13-25)24(28)26-22-17-21(22)18-6-3-2-4-7-18/h2-4,6-9,16,21-22H,5,10-15,17H2,1H3,(H,26,28)/t21-,22+,25?/m1/s1
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| InChIKey |
JXGJTODYQBRZDL-RTIVMORXSA-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