General Information of the Compound
| Compound ID |
CP0470878
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| Compound Name |
1-(4-((4-Chlorophenyl)(phenyl)methyl)piperazin-1-yl)-4-(cyclohexylmethylamino)butan-1-one
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| Structure |
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| Formula |
C28H38ClN3O
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| Molecular Weight |
468.085
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| Canonical SMILES |
Clc1ccc(cc1)C(N1CCN(CC1)C(=O)CCCNCC1CCCCC1)c1ccccc1
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| InChI |
InChI=1S/C28H38ClN3O/c29-26-15-13-25(14-16-26)28(24-10-5-2-6-11-24)32-20-18-31(19-21-32)27(33)12-7-17-30-22-23-8-3-1-4-9-23/h2,5-6,10-11,13-16,23,28,30H,1,3-4,7-9,12,17-22H2
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| InChIKey |
FBBLRLYJWSSKRP-UHFFFAOYSA-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