General Information of the Compound
| Compound ID |
CP0069482
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| Compound Name |
[1-[(2-aminopyridin-4-yl)methyl]-4-fluoropiperidin-4-yl]-[4-(7-methoxy-1,3,4,5-tetrahydro-2-benzazepin-2-yl)piperidin-1-yl]methanone
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| Structure |
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| Formula |
C28H38FN5O2
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| Molecular Weight |
495.643
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| Canonical SMILES |
COc1ccc2CN(CCCc2c1)C1CCN(CC1)C(=O)C1(F)CCN(Cc2ccnc(N)c2)CC1
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| InChI |
InChI=1S/C28H38FN5O2/c1-36-25-5-4-23-20-34(12-2-3-22(23)18-25)24-7-13-33(14-8-24)27(35)28(29)9-15-32(16-10-28)19-21-6-11-31-26(30)17-21/h4-6,11,17-18,24H,2-3,7-10,12-16,19-20H2,1H3,(H2,30,31)
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| InChIKey |
BMWUIIPULBWCPO-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