General Information of the Compound
| Compound ID |
CP0403487
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| Compound Name |
US10047103, 309
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| Structure |
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| Formula |
C30H29N5O5S2
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| Molecular Weight |
603.726
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| Canonical SMILES |
CCCN(CC)C(=O)c1ccc(cc1)-c1nc(COc2cc(OC)cc3oc(cc23)-c2cn3nc(OC)sc3n2)cs1
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| InChI |
InChI=1S/C30H29N5O5S2/c1-5-11-34(6-2)28(36)19-9-7-18(8-10-19)27-31-20(17-41-27)16-39-24-12-21(37-3)13-25-22(24)14-26(40-25)23-15-35-29(32-23)42-30(33-35)38-4/h7-10,12-15,17H,5-6,11,16H2,1-4H3
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| InChIKey |
DDUPLAFYFPIHHV-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