General Information of the Compound
| Compound ID |
CP0333824
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| Compound Name |
3-[trans-4-[4-(1H-Indol-4-yl)-1-pipera-zinyl]-cyclohexyl]-2-methyl-1H-indole
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| Formula |
C27H32N4
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| Molecular Weight |
412.581
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| Canonical SMILES |
Cc1[nH]c2ccccc2c1[C@H]1CC[C@@H](CC1)N1CCN(CC1)c1cccc2[nH]ccc12
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| InChI |
InChI=1S/C27H32N4/c1-19-27(23-5-2-3-6-25(23)29-19)20-9-11-21(12-10-20)30-15-17-31(18-16-30)26-8-4-7-24-22(26)13-14-28-24/h2-8,13-14,20-21,28-29H,9-12,15-18H2,1H3/t20-,21-
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| InChIKey |
ORDLTNPENGIZSO-MEMLXQNLSA-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