General Information of the Compound
| Compound ID |
CP0912293
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| Compound Name |
SID131426756
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| Structure |
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| Formula |
C29H37N3O5S
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| Molecular Weight |
539.698
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| Canonical SMILES |
C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C#CC3CCCC3)cc2O[C@@H]1CN(C)C(=O)Cc1ccncc1
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| InChI |
InChI=1S/C29H37N3O5S/c1-21-18-32(22(2)20-33)38(35,36)28-11-10-24(9-8-23-6-4-5-7-23)16-26(28)37-27(21)19-31(3)29(34)17-25-12-14-30-15-13-25/h10-16,21-23,27,33H,4-7,17-20H2,1-3H3/t21-,22-,27-/m1/s1
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| InChIKey |
FICXZKZQFHEYNI-VHFRWLAGSA-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