General Information of the Compound
| Compound ID |
CP0363152
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| Compound Name |
2-[2-[(1,3-benzodioxol-5-ylmethyl)amino]-2-oxoethyl]-4-[2-(1H-imidazol-1-yl)-6-methyl-4-pyrimidinyl]-1-piperazinecarboxylic acid, methyl ester
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| Structure |
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| Formula |
C24H27N7O5
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| Molecular Weight |
493.524
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| Canonical SMILES |
COC(=O)N1CCN(CC1CC(=O)NCc1ccc2OCOc2c1)c1cc(C)nc(n1)-n1ccnc1
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| InChI |
InChI=1S/C24H27N7O5/c1-16-9-21(28-23(27-16)30-6-5-25-14-30)29-7-8-31(24(33)34-2)18(13-29)11-22(32)26-12-17-3-4-19-20(10-17)36-15-35-19/h3-6,9-10,14,18H,7-8,11-13,15H2,1-2H3,(H,26,32)
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| InChIKey |
BHPZTAGGZNBTOV-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