General Information of the Compound
| Compound ID |
CP0472347
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| Compound Name |
US9067871, 10
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| Structure |
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| Formula |
C27H29Cl2N3O5S
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| Molecular Weight |
578.518
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| Canonical SMILES |
CCOC(=O)NC1CCc2ccc(OCCNS(=O)(=O)c3cccnc3)cc2C1Cc1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C27H29Cl2N3O5S/c1-2-36-27(33)32-26-10-7-19-6-8-20(37-13-12-31-38(34,35)21-4-3-11-30-17-21)16-22(19)23(26)14-18-5-9-24(28)25(29)15-18/h3-6,8-9,11,15-17,23,26,31H,2,7,10,12-14H2,1H3,(H,32,33)
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| InChIKey |
BABYBRPZWIKSLM-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