General Information of the Compound
| Compound ID |
CP0094320
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| Compound Name |
(S)-2-(3-((1H-indol-3-yl)methyl)morpholino)-5,5-dimethyl-5,6-dihydrobenzo[d]thiazol-7(4H)-one
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| Structure |
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| Formula |
C22H25N3O2S
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| Molecular Weight |
395.528
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| Canonical SMILES |
CC1(C)Cc2nc(sc2C(=O)C1)N1CCOC[C@@H]1Cc1c[nH]c2ccccc12
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| InChI |
InChI=1S/C22H25N3O2S/c1-22(2)10-18-20(19(26)11-22)28-21(24-18)25-7-8-27-13-15(25)9-14-12-23-17-6-4-3-5-16(14)17/h3-6,12,15,23H,7-11,13H2,1-2H3/t15-/m0/s1
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| InChIKey |
UPQKAJYEZWCPJY-HNNXBMFYSA-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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Table of Molecular Bioactivities Related to the Compound