General Information of the Compound
| Compound ID |
CP0343977
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| Compound Name |
N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(2-imidazol-1-yl-6-phenylpyrimidin-4-yl)piperidin-2-yl]acetamide
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| Structure |
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| Formula |
C28H28N6O3
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| Molecular Weight |
496.571
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| Canonical SMILES |
O=C(CC1CCCCN1c1cc(nc(n1)-n1ccnc1)-c1ccccc1)NCc1ccc2OCOc2c1
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| InChI |
InChI=1S/C28H28N6O3/c35-27(30-17-20-9-10-24-25(14-20)37-19-36-24)15-22-8-4-5-12-34(22)26-16-23(21-6-2-1-3-7-21)31-28(32-26)33-13-11-29-18-33/h1-3,6-7,9-11,13-14,16,18,22H,4-5,8,12,15,17,19H2,(H,30,35)
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| InChIKey |
GBJQTVOLZGSIES-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