General Information of the Compound
| Compound ID |
CP0451477
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| Compound Name |
US9464076, 54
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| Structure |
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| Formula |
C23H21N3O3S
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| Molecular Weight |
419.506
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| Canonical SMILES |
COCc1ccc(C(C)=O)c2sc(C(=O)Nc3cc(N)c4ccccc4n3)c(C)c12
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| InChI |
InChI=1S/C23H21N3O3S/c1-12-20-14(11-29-3)8-9-15(13(2)27)22(20)30-21(12)23(28)26-19-10-17(24)16-6-4-5-7-18(16)25-19/h4-10H,11H2,1-3H3,(H3,24,25,26,28)
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| InChIKey |
ZVSQPYRKNQJQMJ-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