General Information of the Compound
| Compound ID |
CP0469002
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| Compound Name |
D3RKN_120
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| Structure |
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| Formula |
C33H34N8O3S2
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| Molecular Weight |
654.822
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| Canonical SMILES |
CCc1nc(c(s1)-c1ccnc(Nc2ccc(nc2)N2CCN(CC2)C(C)=O)n1)-c1cccc(c1)N(C)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C33H34N8O3S2/c1-4-30-38-31(24-9-8-10-26(21-24)39(3)46(43,44)27-11-6-5-7-12-27)32(45-30)28-15-16-34-33(37-28)36-25-13-14-29(35-22-25)41-19-17-40(18-20-41)23(2)42/h5-16,21-22H,4,17-20H2,1-3H3,(H,34,36,37)
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| InChIKey |
DFNROAQMFQXLQW-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