General Information of the Compound
| Compound ID |
CP0472470
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| Compound Name |
(11R)-11-methyl-3-methylsulfanyl-7-phenyl-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-8-one
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| Structure |
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| Formula |
C19H18N4OS2
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| Molecular Weight |
382.514
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| Canonical SMILES |
CSc1nnc2n(-c3ccccc3)c(=O)c3c4[C@H](C)CCCc4sc3n12
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| InChI |
InChI=1S/C19H18N4OS2/c1-11-7-6-10-13-14(11)15-16(24)22(12-8-4-3-5-9-12)18-20-21-19(25-2)23(18)17(15)26-13/h3-5,8-9,11H,6-7,10H2,1-2H3/t11-/m1/s1
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| InChIKey |
OKHILFGONHSMKB-LLVKDONJSA-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