General Information of the Compound
| Compound ID |
CP0456145
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| Compound Name |
tert-butyl 2-[(pyridin-3-ylmethylcarbamoylamino)methyl]-6-azaspiro[2.5]octane-6-carboxylate
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| Structure |
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| Formula |
C20H30N4O3
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| Molecular Weight |
374.485
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CCC2(CC2CNC(=O)NCc2cccnc2)CC1
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| InChI |
InChI=1S/C20H30N4O3/c1-19(2,3)27-18(26)24-9-6-20(7-10-24)11-16(20)14-23-17(25)22-13-15-5-4-8-21-12-15/h4-5,8,12,16H,6-7,9-11,13-14H2,1-3H3,(H2,22,23,25)
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| InChIKey |
PIVAZIMYJGDVBC-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