General Information of the Compound
| Compound ID |
CP0441237
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| Compound Name |
1-Benzyl-1H-benzoimidazole-2-carboxylic acid [3-(3-oxa-9-aza-spiro[5.5]undec-9-yl)-3-oxo-propyl]-amide
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| Structure |
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| Formula |
C27H32N4O3
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| Molecular Weight |
460.578
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| Canonical SMILES |
O=C(CCNC(=O)c1nc2ccccc2n1Cc1ccccc1)N1CCC2(CCOCC2)CC1
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| InChI |
InChI=1S/C27H32N4O3/c32-24(30-16-11-27(12-17-30)13-18-34-19-14-27)10-15-28-26(33)25-29-22-8-4-5-9-23(22)31(25)20-21-6-2-1-3-7-21/h1-9H,10-20H2,(H,28,33)
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| InChIKey |
JVPWICRYXXIDKL-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