General Information of the Compound
| Compound ID |
CP0373624
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| Compound Name |
1-(1-(cyclooctenylmethyl)piperidin-4-yl)-3-(3,5-dichloropyridin-4-yl)urea
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| Structure |
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| Formula |
C20H28Cl2N4O
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| Molecular Weight |
411.377
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| Canonical SMILES |
Clc1cncc(Cl)c1NC(=O)NC1CCN(C\C2=C\CCCCCC2)CC1
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| InChI |
InChI=1S/C20H28Cl2N4O/c21-17-12-23-13-18(22)19(17)25-20(27)24-16-8-10-26(11-9-16)14-15-6-4-2-1-3-5-7-15/h6,12-13,16H,1-5,7-11,14H2,(H2,23,24,25,27)/b15-6+
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| InChIKey |
JSLPXZSYKVYCES-GIDUJCDVSA-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