General Information of the Compound
| Compound ID |
CP0509320
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| Compound Name |
N-butyl-10-(4-propan-2-ylphenyl)sulfonyl-5-thia-1,8,11,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-7-amine
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| Structure |
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| Formula |
C20H23N5O2S2
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| Molecular Weight |
429.571
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| Canonical SMILES |
CCCCNc1nc2c(nnn2c2ccsc12)S(=O)(=O)c1ccc(cc1)C(C)C
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| InChI |
InChI=1S/C20H23N5O2S2/c1-4-5-11-21-18-17-16(10-12-28-17)25-19(22-18)20(23-24-25)29(26,27)15-8-6-14(7-9-15)13(2)3/h6-10,12-13H,4-5,11H2,1-3H3,(H,21,22)
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| InChIKey |
ZAQHLYXETPTDJP-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