General Information of the Compound
| Compound ID |
CP0447095
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| Compound Name |
1-[2-[1'-(2,2-dimethylpropyl)spiro[2H-pyrrolo[3,2-c]pyridine-3,4'-piperidine]-1-yl]phenyl]-3-[4-(trifluoromethoxy)phenyl]urea
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| Structure |
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| Formula |
C30H34F3N5O2
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| Molecular Weight |
553.629
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| Canonical SMILES |
CC(C)(C)CN1CCC2(CN(c3ccncc23)c2ccccc2NC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1
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| InChI |
InChI=1S/C30H34F3N5O2/c1-28(2,3)19-37-16-13-29(14-17-37)20-38(25-12-15-34-18-23(25)29)26-7-5-4-6-24(26)36-27(39)35-21-8-10-22(11-9-21)40-30(31,32)33/h4-12,15,18H,13-14,16-17,19-20H2,1-3H3,(H2,35,36,39)
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| InChIKey |
DMPKKWVGKRHQJC-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