General Information of the Compound
| Compound ID |
CP0452453
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| Compound Name |
[1-[(3S,4S)-3-hydroxy-1-(pyridine-3-carbonyl)piperidin-4-yl]piperidin-4-yl]-(4-methoxyphenyl)methanone
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| Structure |
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| Formula |
C24H29N3O4
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| Molecular Weight |
423.513
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| Canonical SMILES |
COc1ccc(cc1)C(=O)C1CCN(CC1)[C@H]1CCN(C[C@@H]1O)C(=O)c1cccnc1
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| InChI |
InChI=1S/C24H29N3O4/c1-31-20-6-4-17(5-7-20)23(29)18-8-12-26(13-9-18)21-10-14-27(16-22(21)28)24(30)19-3-2-11-25-15-19/h2-7,11,15,18,21-22,28H,8-10,12-14,16H2,1H3/t21-,22-/m0/s1
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| InChIKey |
OHLBGXGTXMIMTI-VXKWHMMOSA-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