General Information of the Compound
| Compound ID |
CP0399962
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| Compound Name |
N-[[3-[3-[(3-oxopiperazin-1-yl)methyl]phenyl]phenyl]methyl]-1,3-benzodioxole-5-carboxamide
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| Structure |
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| Formula |
C26H25N3O4
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| Molecular Weight |
443.503
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| Canonical SMILES |
O=C(NCc1cccc(c1)-c1cccc(CN2CCNC(=O)C2)c1)c1ccc2OCOc2c1
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| InChI |
InChI=1S/C26H25N3O4/c30-25-16-29(10-9-27-25)15-19-4-2-6-21(12-19)20-5-1-3-18(11-20)14-28-26(31)22-7-8-23-24(13-22)33-17-32-23/h1-8,11-13H,9-10,14-17H2,(H,27,30)(H,28,31)
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| InChIKey |
CLOOIRUHUDOLQM-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