General Information of the Compound
| Compound ID |
CP0511655
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| Compound Name |
(3,5-Dibutyl-[1,3,5]triazinan-1-yl)-(2,6-dichloro-phenyl)-methanethione
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| Structure |
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| Formula |
C18H27Cl2N3S
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| Molecular Weight |
388.408
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| Canonical SMILES |
CCCCN1CN(CCCC)CN(C1)C(=S)c1c(Cl)cccc1Cl
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| InChI |
InChI=1S/C18H27Cl2N3S/c1-3-5-10-21-12-22(11-6-4-2)14-23(13-21)18(24)17-15(19)8-7-9-16(17)20/h7-9H,3-6,10-14H2,1-2H3
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| InChIKey |
LIZHGPSMNOBTAT-UHFFFAOYSA-N
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| CAS |
57381-74-5
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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