General Information of the Compound
| Compound ID |
CP0471933
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| Compound Name |
N-[[2-[4-[[(3S,5R)-3,5-dimethylpiperazin-1-yl]methyl]phenyl]phenyl]methyl]-N,4-dimethylpentanamide
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| Structure |
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| Formula |
C27H39N3O
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| Molecular Weight |
421.629
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| Canonical SMILES |
CC(C)CCC(=O)N(C)Cc1ccccc1-c1ccc(CN2C[C@H](C)N[C@H](C)C2)cc1
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| InChI |
InChI=1S/C27H39N3O/c1-20(2)10-15-27(31)29(5)19-25-8-6-7-9-26(25)24-13-11-23(12-14-24)18-30-16-21(3)28-22(4)17-30/h6-9,11-14,20-22,28H,10,15-19H2,1-5H3/t21-,22+
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| InChIKey |
KSNRUZJAAQHMRG-SZPZYZBQSA-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