General Information of the Compound
| Compound ID |
CP0094325
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| Compound Name |
(S)-2-(3-((1H-indol-3-yl)methyl)morpholino)-7,7-dimethyl-5,6,7,8-tetrahydrothiazolo[5,4-c]azepin-4-one
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| Structure |
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| Formula |
C22H26N4O2S
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| Molecular Weight |
410.543
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| Canonical SMILES |
CC1(C)CNC(=O)c2sc(nc2C1)N1CCOC[C@@H]1Cc1c[nH]c2ccccc12
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| InChI |
InChI=1S/C22H26N4O2S/c1-22(2)10-18-19(20(27)24-13-22)29-21(25-18)26-7-8-28-12-15(26)9-14-11-23-17-6-4-3-5-16(14)17/h3-6,11,15,23H,7-10,12-13H2,1-2H3,(H,24,27)/t15-/m0/s1
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| InChIKey |
ZCCMLCRXWWFYEG-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