General Information of the Compound
| Compound ID |
CP0138342
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| Compound Name |
3-{(1,4-cis)-4-[4-(1H-Indol-4-yl)-piperazin-1-yl]-cyclohexyl}-1-propyl-1H-indole-5-carbonitrile
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| Formula |
C30H35N5
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| Molecular Weight |
465.645
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| Canonical SMILES |
CCCn1cc([C@@H]2CC[C@@H](CC2)N2CCN(CC2)c2cccc3[nH]ccc23)c2cc(ccc12)C#N
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| InChI |
InChI=1S/C30H35N5/c1-2-14-35-21-27(26-19-22(20-31)6-11-30(26)35)23-7-9-24(10-8-23)33-15-17-34(18-16-33)29-5-3-4-28-25(29)12-13-32-28/h3-6,11-13,19,21,23-24,32H,2,7-10,14-18H2,1H3/t23-,24+
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| InChIKey |
MCPMBLGHBQTMIY-PSWAGMNNSA-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