General Information of the Compound
| Compound ID |
CP0140723
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| Compound Name |
N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(2-imidazol-1-ylpyrimidin-4-yl)-4-(2-phenylmethoxyacetyl)piperazin-2-yl]acetamide
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| Structure |
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| Formula |
C30H31N7O5
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| Molecular Weight |
569.622
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| Canonical SMILES |
O=C(CC1CN(CCN1c1ccnc(n1)-n1ccnc1)C(=O)COCc1ccccc1)NCc1ccc2OCOc2c1
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| InChI |
InChI=1S/C30H31N7O5/c38-28(33-16-23-6-7-25-26(14-23)42-21-41-25)15-24-17-35(29(39)19-40-18-22-4-2-1-3-5-22)12-13-37(24)27-8-9-32-30(34-27)36-11-10-31-20-36/h1-11,14,20,24H,12-13,15-19,21H2,(H,33,38)
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| InChIKey |
HPYBQXBLGMGFEK-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