General Information of the Compound
| Compound ID |
CP0218031
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| Compound Name |
[1-[(2-aminopyridin-4-yl)methyl]-4-fluoropiperidin-4-yl]-[4-(5-fluoro-1,3-dihydroisoindol-2-yl)piperidin-1-yl]methanone
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| Structure |
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| Formula |
C25H31F2N5O
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| Molecular Weight |
455.553
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| Canonical SMILES |
Nc1cc(CN2CCC(F)(CC2)C(=O)N2CCC(CC2)N2Cc3ccc(F)cc3C2)ccn1
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| InChI |
InChI=1S/C25H31F2N5O/c26-21-2-1-19-16-32(17-20(19)14-21)22-4-9-31(10-5-22)24(33)25(27)6-11-30(12-7-25)15-18-3-8-29-23(28)13-18/h1-3,8,13-14,22H,4-7,9-12,15-17H2,(H2,28,29)
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| InChIKey |
MLBBOYBRPZGZGW-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