General Information of the Compound
| Compound ID |
CP0452914
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| Compound Name |
CHEMBL549449
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| Formula |
C28H41N5O4S
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| Molecular Weight |
543.734
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| Canonical SMILES |
CC(C)n1c2ccccc2cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3CCCN2CCN(CC2)S(C)(=O)=O)c1=O
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| InChI |
InChI=1S/C28H41N5O4S/c1-20(2)33-26-8-5-4-7-21(26)17-25(28(33)35)27(34)29-22-18-23-9-10-24(19-22)32(23)12-6-11-30-13-15-31(16-14-30)38(3,36)37/h4-5,7-8,17,20,22-24H,6,9-16,18-19H2,1-3H3,(H,29,34)/t22-,23+,24-
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| InChIKey |
GIGBLIZJFWVMDM-BKFWDETESA-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