General Information of the Compound
| Compound ID |
CP0333036
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| Compound Name |
1-Ethyl-3-{(1,4-cis)-4-[4-(1H-indol-4-yl)-piperazin-1-yl]-cyclohexyl}-1H-indole-5-carbonitrile
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| Formula |
C29H33N5
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| Molecular Weight |
451.618
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| Canonical SMILES |
CCn1cc([C@@H]2CC[C@@H](CC2)N2CCN(CC2)c2cccc3[nH]ccc23)c2cc(ccc12)C#N
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| InChI |
InChI=1S/C29H33N5/c1-2-32-20-26(25-18-21(19-30)6-11-29(25)32)22-7-9-23(10-8-22)33-14-16-34(17-15-33)28-5-3-4-27-24(28)12-13-31-27/h3-6,11-13,18,20,22-23,31H,2,7-10,14-17H2,1H3/t22-,23+
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| InChIKey |
MOSKUJJUMANAJX-ZRZAMGCNSA-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