General Information of the Compound
| Compound ID |
CP0447656
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| Compound Name |
(2-aminopyridin-4-yl)-[9-[(2,2-dimethyl-1,3-benzodioxol-4-yl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]methanone
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| Structure |
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| Formula |
C25H32N4O3
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| Molecular Weight |
436.556
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| Canonical SMILES |
CC1(C)Oc2cccc(CN3CCC4(CC3)CCN(CC4)C(=O)c3ccnc(N)c3)c2O1
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| InChI |
InChI=1S/C25H32N4O3/c1-24(2)31-20-5-3-4-19(22(20)32-24)17-28-12-7-25(8-13-28)9-14-29(15-10-25)23(30)18-6-11-27-21(26)16-18/h3-6,11,16H,7-10,12-15,17H2,1-2H3,(H2,26,27)
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| InChIKey |
CSPRWLXCNMAWKC-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