General Information of the Compound
| Compound ID |
CP0857032
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| Compound Name |
SID131414805
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| Structure |
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| Formula |
C23H34N2O4S
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| Molecular Weight |
434.602
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| Canonical SMILES |
CNC[C@@H]1Oc2cc(C#CC3CCCCC3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C
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| InChI |
InChI=1S/C23H34N2O4S/c1-17-15-25(18(2)16-26)30(27,28)23-12-11-20(10-9-19-7-5-4-6-8-19)13-21(23)29-22(17)14-24-3/h11-13,17-19,22,24,26H,4-8,14-16H2,1-3H3/t17-,18-,22-/m0/s1
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| InChIKey |
PTEAFCJBUOPAHG-SPEDKVCISA-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