General Information of the Compound
| Compound ID |
CP0455596
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| Compound Name |
N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(furan-2-carbonyl)-1-(2-imidazol-1-ylpyrimidin-4-yl)piperazin-2-yl]acetamide
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| Structure |
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| Formula |
C26H25N7O5
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| Molecular Weight |
515.53
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| Canonical SMILES |
O=C(CC1CN(CCN1c1ccnc(n1)-n1ccnc1)C(=O)c1ccco1)NCc1ccc2OCOc2c1
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| InChI |
InChI=1S/C26H25N7O5/c34-24(29-14-18-3-4-20-22(12-18)38-17-37-20)13-19-15-31(25(35)21-2-1-11-36-21)9-10-33(19)23-5-6-28-26(30-23)32-8-7-27-16-32/h1-8,11-12,16,19H,9-10,13-15,17H2,(H,29,34)
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| InChIKey |
LODDVTSCZXYADZ-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