General Information of the Compound
| Compound ID |
CP0215279
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| Compound Name |
N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(2-imidazol-1-ylpyrimidin-4-yl)-4-(methyliminomethyl)piperazin-2-yl]acetamide
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| Formula |
C23H26N8O3
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| Molecular Weight |
462.514
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| Canonical SMILES |
C\N=C\N1CCN(C(CC(=O)NCc2ccc3OCOc3c2)C1)c1ccnc(n1)-n1ccnc1
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| InChI |
InChI=1S/C23H26N8O3/c1-24-14-29-8-9-31(21-4-5-26-23(28-21)30-7-6-25-15-30)18(13-29)11-22(32)27-12-17-2-3-19-20(10-17)34-16-33-19/h2-7,10,14-15,18H,8-9,11-13,16H2,1H3,(H,27,32)/b24-14+
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| InChIKey |
HDWZRGPJHTWCSK-ZVHZXABRSA-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