General Information of the Compound
| Compound ID |
CP0511500
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| Compound Name |
D3RKN_117
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| Structure |
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| Formula |
C32H32N6O2S2
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| Molecular Weight |
596.782
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| Canonical SMILES |
CC(C)c1nc(c(s1)-c1ccnc(Nc2ccc3CCN(C)Cc3c2)n1)-c1cccc(NS(=O)(=O)c2ccccc2)c1
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| InChI |
InChI=1S/C32H32N6O2S2/c1-21(2)31-36-29(23-8-7-9-26(18-23)37-42(39,40)27-10-5-4-6-11-27)30(41-31)28-14-16-33-32(35-28)34-25-13-12-22-15-17-38(3)20-24(22)19-25/h4-14,16,18-19,21,37H,15,17,20H2,1-3H3,(H,33,34,35)
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| InChIKey |
KLEUWSFCKXAIKJ-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