General Information of the Compound
| Compound ID |
CP0409298
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| Compound Name |
5,11Dimethyl3(piperazin1yl)8thia4,6diazatricyclo[7.4.0.0?⁷]trideca1(9),2(7),3,5tetraene (Inh 5)
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| Structure |
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| Formula |
C16H22N4S
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| Molecular Weight |
302.447
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| Canonical SMILES |
CC1CCc2c(C1)sc1nc(C)nc(N3CCNCC3)c21
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| InChI |
InChI=1S/C16H22N4S/c1-10-3-4-12-13(9-10)21-16-14(12)15(18-11(2)19-16)20-7-5-17-6-8-20/h10,17H,3-9H2,1-2H3
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| InChIKey |
SVALUENWPLKUMZ-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