General Information of the Compound
| Compound ID |
CP0503912
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| Compound Name |
N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-5-chloro-2-(cyclopropylmethylamino)pyridine-3-carboxamide
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| Structure |
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| Formula |
C23H27ClN4O3
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| Molecular Weight |
442.947
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| Canonical SMILES |
Clc1cnc(NCC2CC2)c(c1)C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1
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| InChI |
InChI=1S/C23H27ClN4O3/c24-17-10-19(22(26-12-17)25-11-15-1-2-15)23(29)27-18-5-7-28(8-6-18)13-16-3-4-20-21(9-16)31-14-30-20/h3-4,9-10,12,15,18H,1-2,5-8,11,13-14H2,(H,25,26)(H,27,29)
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| InChIKey |
UGKUJFAPSZYHAK-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