General Information of the Compound
| Compound ID |
CP0579539
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| Compound Name |
3-[3-[4-(2,2-diphenylacetyl)piperazin-1-yl]propyl]-1H-benzimidazol-2-one
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| Structure |
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| Formula |
C28H30N4O2
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| Molecular Weight |
454.574
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| Canonical SMILES |
O=C(C(c1ccccc1)c1ccccc1)N1CCN(CCCn2c3ccccc3[nH]c2=O)CC1
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| InChI |
InChI=1S/C28H30N4O2/c33-27(26(22-10-3-1-4-11-22)23-12-5-2-6-13-23)31-20-18-30(19-21-31)16-9-17-32-25-15-8-7-14-24(25)29-28(32)34/h1-8,10-15,26H,9,16-21H2,(H,29,34)
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| InChIKey |
FQZLSHLEYQRERE-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