General Information of the Compound
| Compound ID |
CP0484739
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| Compound Name |
CHEMBL2059583
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| Formula |
C28H44N6O4S
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| Molecular Weight |
560.765
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| Canonical SMILES |
CC(C)n1nc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3CC(O)CN2CCC(CNS(C)(=O)=O)CC2)c2ccccc12
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| InChI |
InChI=1S/C28H44N6O4S/c1-19(2)34-26-7-5-4-6-25(26)27(31-34)28(36)30-21-14-22-8-9-23(15-21)33(22)18-24(35)17-32-12-10-20(11-13-32)16-29-39(3,37)38/h4-7,19-24,29,35H,8-18H2,1-3H3,(H,30,36)/t21-,22+,23-,24?
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| InChIKey |
UNKDEYXEXSLRTF-ACDIJKPMSA-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