General Information of the Compound
Compound ID |
CP0435829
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Compound Name |
CHEMBL4450877
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Formula |
C27H37N5O5S
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Molecular Weight |
543.69
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Canonical SMILES |
C[C@H]1CC[C@@H](CC1)C1=NC2(CCN(CC2)S(=O)(=O)CCc2c(C)cc(cc2C)N2C(=O)CNC2=O)C(=O)N1
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InChI |
InChI=1S/C27H37N5O5S/c1-17-4-6-20(7-5-17)24-29-25(34)27(30-24)9-11-31(12-10-27)38(36,37)13-8-22-18(2)14-21(15-19(22)3)32-23(33)16-28-26(32)35/h14-15,17,20H,4-13,16H2,1-3H3,(H,28,35)(H,29,30,34)/t17-,20-
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InChIKey |
SDLMETJYUCPVHI-IRJFHVNHSA-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