General Information of the Compound
| Compound ID |
CP0262701
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| Compound Name |
5-Fluoro-3-[(1,4-trans)-4-(4-naphthalen-1-yl-piperazin-1-yl)-cyclohexyl]-1H-indole
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| Formula |
C28H30FN3
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| Molecular Weight |
427.567
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| Canonical SMILES |
Fc1ccc2[nH]cc([C@H]3CC[C@@H](CC3)N3CCN(CC3)c3cccc4ccccc34)c2c1
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| InChI |
InChI=1S/C28H30FN3/c29-22-10-13-27-25(18-22)26(19-30-27)21-8-11-23(12-9-21)31-14-16-32(17-15-31)28-7-3-5-20-4-1-2-6-24(20)28/h1-7,10,13,18-19,21,23,30H,8-9,11-12,14-17H2/t21-,23-
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| InChIKey |
YIUZLZDVUZGHIP-AFARHQOCSA-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