General Information of the Compound
| Compound ID |
CP0445522
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| Compound Name |
CHEMBL3623051
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| Formula |
C21H26N4O5S2
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| Molecular Weight |
478.596
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| Canonical SMILES |
COc1cccc2c1C(NC[C@@]1(CC[C@@H](CC1)NS(N)(=O)=O)c1ccccc1)=NS2(=O)=O
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| InChI |
InChI=1S/C21H26N4O5S2/c1-30-17-8-5-9-18-19(17)20(25-31(18,26)27)23-14-21(15-6-3-2-4-7-15)12-10-16(11-13-21)24-32(22,28)29/h2-9,16,24H,10-14H2,1H3,(H,23,25)(H2,22,28,29)/t16-,21-
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| InChIKey |
TXLMKWAPJFHJQT-OQIWPSSASA-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