General Information of the Compound
| Compound ID |
CP0335690
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| Compound Name |
N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(2-imidazol-1-ylpyrimidin-4-yl)azepan-2-yl]acetamide
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| Structure |
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| Formula |
C23H26N6O3
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| Molecular Weight |
434.5
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| Canonical SMILES |
O=C(CC1CCCCCN1c1ccnc(n1)-n1ccnc1)NCc1ccc2OCOc2c1
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| InChI |
InChI=1S/C23H26N6O3/c30-22(26-14-17-5-6-19-20(12-17)32-16-31-19)13-18-4-2-1-3-10-29(18)21-7-8-25-23(27-21)28-11-9-24-15-28/h5-9,11-12,15,18H,1-4,10,13-14,16H2,(H,26,30)
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| InChIKey |
AVNPCOQLNCMCEC-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