General Information of the Compound
| Compound ID |
CP0245543
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| Compound Name |
4-{trans-4-[4-(1H-Indol-3-yl)cyclohexyl]-piperazin-1-yl}-1H-benzimidazole
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| Formula |
C25H29N5
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| Molecular Weight |
399.542
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| Canonical SMILES |
C1C[C@@H](CC[C@H]1N1CCN(CC1)c1cccc2[nH]cnc12)c1c[nH]c2ccccc12
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| InChI |
InChI=1S/C25H29N5/c1-2-5-22-20(4-1)21(16-26-22)18-8-10-19(11-9-18)29-12-14-30(15-13-29)24-7-3-6-23-25(24)28-17-27-23/h1-7,16-19,26H,8-15H2,(H,27,28)/t18-,19-
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| InChIKey |
MBJMKBASUQRTPR-WGSAOQKQSA-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