General Information of the Compound
| Compound ID |
CP0363151
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| Compound Name |
N-(1,3-benzodioxol-5-ylmethyl)-2-[1-[2,6-di(imidazol-1-yl)pyrimidin-4-yl]piperidin-2-yl]acetamide
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| Structure |
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| Formula |
C25H26N8O3
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| Molecular Weight |
486.536
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| Canonical SMILES |
O=C(CC1CCCCN1c1cc(nc(n1)-n1ccnc1)-n1ccnc1)NCc1ccc2OCOc2c1
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| InChI |
InChI=1S/C25H26N8O3/c34-24(28-14-18-4-5-20-21(11-18)36-17-35-20)12-19-3-1-2-8-33(19)23-13-22(31-9-6-26-15-31)29-25(30-23)32-10-7-27-16-32/h4-7,9-11,13,15-16,19H,1-3,8,12,14,17H2,(H,28,34)
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| InChIKey |
KDPIGDVECQEMIR-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