General Information of the Compound
| Compound ID |
CP0931562
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| Compound Name |
SID49735911
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| Structure |
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| Formula |
C27H33ClN4O4S
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| Molecular Weight |
545.105
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| Canonical SMILES |
CC(=O)N1c2ccc(S(=O)(=O)N3CCC(C(=O)N4CCN(c5ccc(Cl)cc5)CC4)CC3)cc2CC1C
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| InChI |
InChI=1S/C27H33ClN4O4S/c1-19-17-22-18-25(7-8-26(22)32(19)20(2)33)37(35,36)31-11-9-21(10-12-31)27(34)30-15-13-29(14-16-30)24-5-3-23(28)4-6-24/h3-8,18-19,21H,9-17H2,1-2H3
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| InChIKey |
XYZZSEFVOZAVHO-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