General Information of the Compound
| Compound ID |
CP0496770
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| Compound Name |
N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-5-chloro-2-[[(2R)-oxolan-2-yl]methylamino]pyridine-3-carboxamide
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| Structure |
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| Formula |
C24H29ClN4O4
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| Molecular Weight |
472.973
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| Canonical SMILES |
Clc1cnc(NC[C@H]2CCCO2)c(c1)C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1
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| InChI |
InChI=1S/C24H29ClN4O4/c25-17-11-20(23(26-12-17)27-13-19-2-1-9-31-19)24(30)28-18-5-7-29(8-6-18)14-16-3-4-21-22(10-16)33-15-32-21/h3-4,10-12,18-19H,1-2,5-9,13-15H2,(H,26,27)(H,28,30)/t19-/m1/s1
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| InChIKey |
WFIGTTZMJQKLBS-LJQANCHMSA-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