General Information of the Compound
| Compound ID |
CP0341691
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| Compound Name |
5-Fluoro-3-{cis-4-[4-(1H-indol-4-yl)-1-piperazinyl]-cyclohexyl}-1-methyl-1H-indole
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| Formula |
C27H31FN4
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| Molecular Weight |
430.571
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| Canonical SMILES |
Cn1cc([C@@H]2CC[C@@H](CC2)N2CCN(CC2)c2cccc3[nH]ccc23)c2cc(F)ccc12
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| InChI |
InChI=1S/C27H31FN4/c1-30-18-24(23-17-20(28)7-10-26(23)30)19-5-8-21(9-6-19)31-13-15-32(16-14-31)27-4-2-3-25-22(27)11-12-29-25/h2-4,7,10-12,17-19,21,29H,5-6,8-9,13-16H2,1H3/t19-,21+
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| InChIKey |
BKCXSHHVYOXEJX-TYKWCNGQSA-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