General Information of the Compound
| Compound ID |
CP0538924
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| Compound Name |
US10047103, 313
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| Structure |
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| Formula |
C33H33N5O5S2
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| Molecular Weight |
643.791
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| Canonical SMILES |
CCCN(C(C)C1CC1)C(=O)c1ccc(cc1)-c1nc(COc2cc(OC)cc3oc(cc23)-c2cn3nc(OC)sc3n2)cs1
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| InChI |
InChI=1S/C33H33N5O5S2/c1-5-12-37(19(2)20-6-7-20)31(39)22-10-8-21(9-11-22)30-34-23(18-44-30)17-42-27-13-24(40-3)14-28-25(27)15-29(43-28)26-16-38-32(35-26)45-33(36-38)41-4/h8-11,13-16,18-20H,5-7,12,17H2,1-4H3
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| InChIKey |
BBOMGNKXFZPENL-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