General Information of the Compound
| Compound ID |
CP0540398
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| Compound Name |
US10047103, 246
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| Structure |
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| Formula |
C26H29N5O5S
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| Molecular Weight |
523.615
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| Canonical SMILES |
COCCN(CCOC)c1nc(COc2cc(OC)cc3oc(cc23)-c2cn3nc(C)ccc3n2)cs1
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| InChI |
InChI=1S/C26H29N5O5S/c1-17-5-6-25-28-21(14-31(25)29-17)24-13-20-22(11-19(34-4)12-23(20)36-24)35-15-18-16-37-26(27-18)30(7-9-32-2)8-10-33-3/h5-6,11-14,16H,7-10,15H2,1-4H3
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| InChIKey |
WTQLMPDQUAVPLC-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