General Information of the Compound
| Compound ID |
CP0514543
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| Compound Name |
2-[3-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazolidine 1,1-dioxide
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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=S1(=O)CCCN1c1cccc(O[C@@H]2[C@H](Cc3ccccc23)N2CCCC2)c1
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| InChI |
InChI=1S/C22H26N2O3S/c25-28(26)14-6-13-24(28)18-8-5-9-19(16-18)27-22-20-10-2-1-7-17(20)15-21(22)23-11-3-4-12-23/h1-2,5,7-10,16,21-22H,3-4,6,11-15H2/t21-,22-/m0/s1
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| InChIKey |
FKLNBKWJFZYICD-VXKWHMMOSA-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