General Information of the Compound
| Compound ID |
CP0863890
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| Compound Name |
SID49727002
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| Structure |
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| Formula |
C21H26N2O5S2
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| Molecular Weight |
450.582
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| Canonical SMILES |
COc1cc(/C=C2\SC(=S)N(CCC(=O)N3CCCCC3)C2=O)cc(OC)c1OC
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| InChI |
InChI=1S/C21H26N2O5S2/c1-26-15-11-14(12-16(27-2)19(15)28-3)13-17-20(25)23(21(29)30-17)10-7-18(24)22-8-5-4-6-9-22/h11-13H,4-10H2,1-3H3/b17-13-
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| InChIKey |
GBHGEQDEWKUBJT-LGMDPLHJSA-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