General Information of the Compound
| Compound ID |
CP0760503
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| Compound Name |
SID49822477
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| Structure |
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| Formula |
C22H21N3O2S2
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| Molecular Weight |
423.563
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| Canonical SMILES |
O=C1/C(=C/c2ccccc2)SC(=S)N1CC(=O)N1CCCCC1c1cccnc1
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| InChI |
InChI=1S/C22H21N3O2S2/c26-20(24-12-5-4-10-18(24)17-9-6-11-23-14-17)15-25-21(27)19(29-22(25)28)13-16-7-2-1-3-8-16/h1-3,6-9,11,13-14,18H,4-5,10,12,15H2/b19-13-
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| InChIKey |
IAWKQLIPSWLIRH-UYRXBGFRSA-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
Protein ID: PT06109, Geminin
Protein ID: PT06124, Paired box protein Pax-8