General Information of the Compound
| Compound ID |
CP0561954
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| Compound Name |
4-chloro-1-[2-[[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino]phenyl]-1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine]-7-ol
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| Structure |
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| Formula |
C31H33Cl2N5OS
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| Molecular Weight |
594.612
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| Canonical SMILES |
CC(C)(C)CN1CCC2(CN(c3c2c(Cl)ccc3O)c2ccccc2Nc2nnc(s2)-c2ccc(Cl)cc2)CC1
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| InChI |
InChI=1S/C31H33Cl2N5OS/c1-30(2,3)18-37-16-14-31(15-17-37)19-38(27-25(39)13-12-22(33)26(27)31)24-7-5-4-6-23(24)34-29-36-35-28(40-29)20-8-10-21(32)11-9-20/h4-13,39H,14-19H2,1-3H3,(H,34,36)
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| InChIKey |
NOPWGIRXRPXHPD-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