General Information of the Compound
| Compound ID |
CP0560684
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| Compound Name |
US8653100, 30
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| Structure |
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| Formula |
C30H30ClN3O3S
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| Molecular Weight |
548.108
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| Canonical SMILES |
Clc1ccc(cc1)C1(CCC1)C1NCCc2ccc(OCCNS(=O)(=O)c3cccc4cccnc34)cc12
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| InChI |
InChI=1S/C30H30ClN3O3S/c31-24-10-8-23(9-11-24)30(14-3-15-30)29-26-20-25(12-7-21(26)13-17-33-29)37-19-18-34-38(35,36)27-6-1-4-22-5-2-16-32-28(22)27/h1-2,4-12,16,20,29,33-34H,3,13-15,17-19H2
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| InChIKey |
VETJCMJGXSPEPZ-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