General Information of the Compound
| Compound ID |
CP0851521
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| Compound Name |
SID85809458
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| Structure |
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| Formula |
C29H34ClN3O7S2
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| Molecular Weight |
636.192
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| Canonical SMILES |
C[C@@H]1CN([C@H](C)CO)C(=O)Cc2cc(NS(=O)(=O)c3ccccc3)ccc2O[C@@H]1CN(C)S(=O)(=O)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C29H34ClN3O7S2/c1-20-17-33(21(2)19-34)29(35)16-22-15-24(31-41(36,37)25-7-5-4-6-8-25)11-14-27(22)40-28(20)18-32(3)42(38,39)26-12-9-23(30)10-13-26/h4-15,20-21,28,31,34H,16-19H2,1-3H3/t20-,21-,28-/m1/s1
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| InChIKey |
KYAHKDXWSROQEB-UMQWNRPGSA-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