General Information of the Compound
| Compound ID |
CP0490189
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| Compound Name |
[1-[(3S,4S)-4-hydroxy-1-(pyridin-3-ylmethyl)piperidin-3-yl]piperidin-4-yl]-(4-methoxyphenyl)methanone
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| Structure |
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| Formula |
C24H31N3O3
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| Molecular Weight |
409.53
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| Canonical SMILES |
COc1ccc(cc1)C(=O)C1CCN(CC1)[C@H]1CN(Cc2cccnc2)CC[C@@H]1O
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| InChI |
InChI=1S/C24H31N3O3/c1-30-21-6-4-19(5-7-21)24(29)20-8-13-27(14-9-20)22-17-26(12-10-23(22)28)16-18-3-2-11-25-15-18/h2-7,11,15,20,22-23,28H,8-10,12-14,16-17H2,1H3/t22-,23-/m0/s1
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| InChIKey |
MWHSDCDDDAGHFI-GOTSBHOMSA-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