General Information of the Compound
| Compound ID |
CP0511401
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| Compound Name |
(2R)-2-[1-(5-cyclopropylpyrimidin-2-yl)piperidin-4-yl]-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2,3-dihydrofuro[2,3-c]pyridine
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| Structure |
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| Formula |
C25H31N5O3S
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| Molecular Weight |
481.622
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| Canonical SMILES |
CS(=O)(=O)N1CCC(=CC1)c1cc2C[C@@H](Oc2cn1)C1CCN(CC1)c1ncc(cn1)C1CC1
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| InChI |
InChI=1S/C25H31N5O3S/c1-34(31,32)30-10-6-18(7-11-30)22-12-20-13-23(33-24(20)16-26-22)19-4-8-29(9-5-19)25-27-14-21(15-28-25)17-2-3-17/h6,12,14-17,19,23H,2-5,7-11,13H2,1H3/t23-/m1/s1
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| InChIKey |
GPHDDBOESAIKHK-HSZRJFAPSA-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