General Information of the Compound
| Compound ID |
CP0199002
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| Compound Name |
3-[trans-4-[4-(1H-Indol-4-yl)-1-pipera-zinyl]-cyclohexyl]-1H-indole
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| Formula |
C26H30N4
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| Molecular Weight |
398.554
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| Canonical SMILES |
C1C[C@@H](CC[C@H]1N1CCN(CC1)c1cccc2[nH]ccc12)c1c[nH]c2ccccc12
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| InChI |
InChI=1S/C26H30N4/c1-2-5-24-21(4-1)23(18-28-24)19-8-10-20(11-9-19)29-14-16-30(17-15-29)26-7-3-6-25-22(26)12-13-27-25/h1-7,12-13,18-20,27-28H,8-11,14-17H2/t19-,20-
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| InChIKey |
PKKXQKIYTJVFFJ-MXVIHJGJSA-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