General Information of the Compound
| Compound ID |
CP0540188
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| Compound Name |
(2E)-3-(1-Benzoylpiperidin-4-yl)-N-{(3R)-1-[(6-fluoro-2-naphthyl)methyl]pyrrolidin-3-yl}acrylamide
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| Structure |
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| Formula |
C30H32FN3O2
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| Molecular Weight |
485.603
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| Canonical SMILES |
Fc1ccc2cc(CN3CC[C@H](C3)NC(=O)\C=C\C3CCN(CC3)C(=O)c3ccccc3)ccc2c1
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| InChI |
InChI=1S/C30H32FN3O2/c31-27-10-9-25-18-23(6-8-26(25)19-27)20-33-15-14-28(21-33)32-29(35)11-7-22-12-16-34(17-13-22)30(36)24-4-2-1-3-5-24/h1-11,18-19,22,28H,12-17,20-21H2,(H,32,35)/b11-7+/t28-/m1/s1
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| InChIKey |
GSABPLXEDGVPNJ-IJMNMRELSA-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