General Information of the Compound
| Compound ID |
CP0548573
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| Compound Name |
(4S,5R)-7-[(1-methylindol-3-yl)methyl]-1,1-dioxo-2-phenyl-1lambda6-thia-2,7-diazaspiro[4.4]nonan-4-ol
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| Structure |
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| Formula |
C22H25N3O3S
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| Molecular Weight |
411.527
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| Canonical SMILES |
Cn1cc(CN2CC[C@@]3(C2)[C@@H](O)CN(c2ccccc2)S3(=O)=O)c2ccccc12
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| InChI |
InChI=1S/C22H25N3O3S/c1-23-13-17(19-9-5-6-10-20(19)23)14-24-12-11-22(16-24)21(26)15-25(29(22,27)28)18-7-3-2-4-8-18/h2-10,13,21,26H,11-12,14-16H2,1H3/t21-,22+/m0/s1
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| InChIKey |
BKQATCAEQIKQSU-FCHUYYIVSA-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