General Information of the Compound
| Compound ID |
CP0546188
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| Compound Name |
11,13-dimethyl-6-pyrrolidin-1-yl-8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
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| Structure |
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| Formula |
C16H17N3S
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| Molecular Weight |
283.4
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| Canonical SMILES |
Cc1cc(C)c2c(n1)sc1c(nccc21)N1CCCC1
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| InChI |
InChI=1S/C16H17N3S/c1-10-9-11(2)18-16-13(10)12-5-6-17-15(14(12)20-16)19-7-3-4-8-19/h5-6,9H,3-4,7-8H2,1-2H3
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| InChIKey |
AWTONMHYTKKOJL-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