General Information of the Compound
| Compound ID |
CP0449598
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| Compound Name |
tert-butyl N-[1-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropylcarbamoyl)cyclohexyl]carbamate
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| Structure |
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| Formula |
C28H43N3O3
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| Molecular Weight |
469.67
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| Canonical SMILES |
CC(C)(C)OC(=O)NC1(CCCCC1)C(=O)NCCCN1CCC2(CCc3ccccc23)CC1
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| InChI |
InChI=1S/C28H43N3O3/c1-26(2,3)34-25(33)30-28(13-7-4-8-14-28)24(32)29-18-9-19-31-20-16-27(17-21-31)15-12-22-10-5-6-11-23(22)27/h5-6,10-11H,4,7-9,12-21H2,1-3H3,(H,29,32)(H,30,33)
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| InChIKey |
HQTWMYBMGBATLF-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