General Information of the Compound
| Compound ID |
CP0547962
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| Compound Name |
[7-[(3-chlorophenyl)methyl]-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl] 4-(4-methoxyphenyl)piperazine-1-carboxylate
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| Structure |
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| Formula |
C25H28ClN5O5
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| Molecular Weight |
513.982
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| Canonical SMILES |
COc1ccc(cc1)N1CCN(CC1)C(=O)ON1C(=O)C2CN(Cc3cccc(Cl)c3)CCN2C1=O
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| InChI |
InChI=1S/C25H28ClN5O5/c1-35-21-7-5-20(6-8-21)28-10-12-29(13-11-28)25(34)36-31-23(32)22-17-27(9-14-30(22)24(31)33)16-18-3-2-4-19(26)15-18/h2-8,15,22H,9-14,16-17H2,1H3
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| InChIKey |
LVYCQVJVQSZFPI-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