General Information of the Compound
| Compound ID |
CP0194646
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| Compound Name |
CHEMBL2152223
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| Formula |
C23H31ClN2O4S
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| Molecular Weight |
467.031
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| Canonical SMILES |
Cc1c(Cl)cccc1S(=O)(=O)N1CCC[C@]1(C)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2
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| InChI |
InChI=1S/C23H31ClN2O4S/c1-14-18(24)5-3-6-19(14)31(29,30)26-8-4-7-22(26,2)21(27)25-20-16-9-15-10-17(20)13-23(28,11-15)12-16/h3,5-6,15-17,20,28H,4,7-13H2,1-2H3,(H,25,27)/t15?,16?,17?,20-,22-,23-/m1/s1
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| InChIKey |
IDOZZJFHEYUHMV-FCNBXJQRSA-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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