General Information of the Compound
| Compound ID |
CP0235354
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| Compound Name |
5-Methoxy-3-[trans-4-[4-(1H-indol-4-yl)-1-piperazinyl]-cyclohexyl]-1H-indole
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| Formula |
C27H32N4O
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| Molecular Weight |
428.58
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| Canonical SMILES |
COc1ccc2[nH]cc([C@H]3CC[C@@H](CC3)N3CCN(CC3)c3cccc4[nH]ccc34)c2c1
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| InChI |
InChI=1S/C27H32N4O/c1-32-21-9-10-26-23(17-21)24(18-29-26)19-5-7-20(8-6-19)30-13-15-31(16-14-30)27-4-2-3-25-22(27)11-12-28-25/h2-4,9-12,17-20,28-29H,5-8,13-16H2,1H3/t19-,20-
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| InChIKey |
SMBPHGSMOKBXEX-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