General Information of the Compound
Compound ID |
CP0579269
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Compound Name |
CHEMBL5169473
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Formula |
C27H38N6OS
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Molecular Weight |
494.709
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Canonical SMILES |
CC(C)c1nnc(C)n1[C@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCCC1)c1ccc(s1)C#N
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InChI |
InChI=1S/C27H38N6OS/c1-17(2)26-31-30-18(3)33(26)22-14-20-8-9-21(15-22)32(20)13-12-24(25-11-10-23(16-28)35-25)29-27(34)19-6-4-5-7-19/h10-11,17,19-22,24H,4-9,12-15H2,1-3H3,(H,29,34)/t20-,21+,22-,24-/m0/s1
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InChIKey |
BWNNIBQMRWSXAQ-KHUIQGCPSA-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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