General Information of the Compound
| Compound ID |
CP0400920
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| Compound Name |
ethyl 5-[3-(1H-benzimidazol-2-yl)propyl-methylamino]-2-phenyl-2-propan-2-ylpentanoate
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| Structure |
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| Formula |
C27H37N3O2
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| Molecular Weight |
435.612
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| Canonical SMILES |
CCOC(=O)C(CCCN(C)CCCc1nc2ccccc2[nH]1)(C(C)C)c1ccccc1
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| InChI |
InChI=1S/C27H37N3O2/c1-5-32-26(31)27(21(2)3,22-13-7-6-8-14-22)18-12-20-30(4)19-11-17-25-28-23-15-9-10-16-24(23)29-25/h6-10,13-16,21H,5,11-12,17-20H2,1-4H3,(H,28,29)
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| InChIKey |
PVDJWOVUBFJXRE-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