General Information of the Compound
| Compound ID |
CP0571202
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| Compound Name |
1'-(2,2-dimethylpropyl)-4-(trifluoromethyl)-1-[2-[[5-[4-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]amino]phenyl]spiro[2H-indole-3,4'-piperidine]-7-ol
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| Structure |
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| Formula |
C33H33F6N5OS
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| Molecular Weight |
661.716
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| Canonical SMILES |
CC(C)(C)CN1CCC2(CN(c3c2c(ccc3O)C(F)(F)F)c2ccccc2Nc2nnc(s2)-c2ccc(cc2)C(F)(F)F)CC1
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| InChI |
InChI=1S/C33H33F6N5OS/c1-30(2,3)18-43-16-14-31(15-17-43)19-44(27-25(45)13-12-22(26(27)31)33(37,38)39)24-7-5-4-6-23(24)40-29-42-41-28(46-29)20-8-10-21(11-9-20)32(34,35)36/h4-13,45H,14-19H2,1-3H3,(H,40,42)
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| InChIKey |
PXIUTJGVFPIVCQ-UHFFFAOYSA-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