General Information of the Compound
| Compound ID |
CP0530483
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| Compound Name |
(4-Isopropyl-piperazin-1-yl)-(6-piperidin-1-ylmethylpyridin-3-yl)-methanethione
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| Structure |
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| Formula |
C19H30N4S
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| Molecular Weight |
346.544
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| Canonical SMILES |
CC(C)N1CCN(CC1)C(=S)c1ccc(CN2CCCCC2)nc1
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| InChI |
InChI=1S/C19H30N4S/c1-16(2)22-10-12-23(13-11-22)19(24)17-6-7-18(20-14-17)15-21-8-4-3-5-9-21/h6-7,14,16H,3-5,8-13,15H2,1-2H3
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| InChIKey |
CYKIJOQYHLZFST-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