General Information of the Compound
| Compound ID |
CP0374371
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| Compound Name |
1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]-N-prop-2-ynylpiperidine-4-carboxamide
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| Structure |
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| Formula |
C24H35N3O2
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| Molecular Weight |
397.563
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| Canonical SMILES |
O=C(NCC#C)C1CCN(Cc2ccc(OCCCN3CCCCC3)cc2)CC1
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| InChI |
InChI=1S/C24H35N3O2/c1-2-13-25-24(28)22-11-17-27(18-12-22)20-21-7-9-23(10-8-21)29-19-6-16-26-14-4-3-5-15-26/h1,7-10,22H,3-6,11-20H2,(H,25,28)
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| InChIKey |
TTYRABWZJISKTL-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