General Information of the Compound
| Compound ID |
CP0397053
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| Compound Name |
cyclooctyl-[(3R)-3-methyl-4-pyridin-2-ylpiperazin-1-yl]methanone
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| Structure |
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| Formula |
C19H29N3O
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| Molecular Weight |
315.461
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| Canonical SMILES |
C[C@@H]1CN(CCN1c1ccccn1)C(=O)C1CCCCCCC1
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| InChI |
InChI=1S/C19H29N3O/c1-16-15-21(13-14-22(16)18-11-7-8-12-20-18)19(23)17-9-5-3-2-4-6-10-17/h7-8,11-12,16-17H,2-6,9-10,13-15H2,1H3/t16-/m1/s1
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| InChIKey |
KIEIILRWTVATDY-MRXNPFEDSA-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