General Information of the Compound
| Compound ID |
CP0436596
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| Compound Name |
CHEMBL2087334
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| Formula |
C24H34N4O5S
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| Molecular Weight |
490.626
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| Canonical SMILES |
CC(C)n1c2ccccc2cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3CC(O)CNS(C)(=O)=O)c1=O
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| InChI |
InChI=1S/C24H34N4O5S/c1-15(2)28-22-7-5-4-6-16(22)10-21(24(28)31)23(30)26-17-11-18-8-9-19(12-17)27(18)14-20(29)13-25-34(3,32)33/h4-7,10,15,17-20,25,29H,8-9,11-14H2,1-3H3,(H,26,30)/t17-,18+,19-,20?
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| InChIKey |
HQAAHXXATSZWOJ-RKZNWXTNSA-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