General Information of the Compound
| Compound ID |
CP0572930
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| Compound Name |
(4S,5R)-7-(2,3-dihydro-1H-inden-5-ylmethyl)-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 |
C22H26N2O3S
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| Molecular Weight |
398.528
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| Canonical SMILES |
O[C@H]1CN(c2ccccc2)S(=O)(=O)[C@@]11CCN(Cc2ccc3CCCc3c2)C1
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| InChI |
InChI=1S/C22H26N2O3S/c25-21-15-24(20-7-2-1-3-8-20)28(26,27)22(21)11-12-23(16-22)14-17-9-10-18-5-4-6-19(18)13-17/h1-3,7-10,13,21,25H,4-6,11-12,14-16H2/t21-,22+/m0/s1
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| InChIKey |
BKPCAVXRSISRKB-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