General Information of the Compound
| Compound ID |
CP0397976
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| Compound Name |
1-acetyl-N-[3-[4-[(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]propyl]-N-phenylpiperidine-4-carboxamide
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| Structure |
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| Formula |
C29H39FN4O2
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| Molecular Weight |
494.655
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| Canonical SMILES |
CC1CN(Cc2ccc(F)cc2)CCN1CCCN(C(=O)C1CCN(CC1)C(C)=O)c1ccccc1
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| InChI |
InChI=1S/C29H39FN4O2/c1-23-21-31(22-25-9-11-27(30)12-10-25)19-20-32(23)15-6-16-34(28-7-4-3-5-8-28)29(36)26-13-17-33(18-14-26)24(2)35/h3-5,7-12,23,26H,6,13-22H2,1-2H3
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| InChIKey |
SMDNZVVICMOXQB-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