General Information of the Compound
| Compound ID |
CP0090886
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| Compound Name |
3-{4-[(1,4-cis)-4-(1H-Indol-4-yl)-pipera-zinyl-1-yl]-cyclohexyl}-1H-indole-5-carbonitrile
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| Formula |
C27H29N5
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| Molecular Weight |
423.564
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| Canonical SMILES |
N#Cc1ccc2[nH]cc([C@@H]3CC[C@@H](CC3)N3CCN(CC3)c3cccc4[nH]ccc34)c2c1
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| InChI |
InChI=1S/C27H29N5/c28-17-19-4-9-26-23(16-19)24(18-30-26)20-5-7-21(8-6-20)31-12-14-32(15-13-31)27-3-1-2-25-22(27)10-11-29-25/h1-4,9-11,16,18,20-21,29-30H,5-8,12-15H2/t20-,21+
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| InChIKey |
UKWSMBRBDLPKHS-OYRHEFFESA-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