General Information of the Compound
| Compound ID |
CP0560432
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| Compound Name |
2-[(E)-2-[(4R)-4-methyl-
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| Structure |
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| Formula |
C18H19N3O3S
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| Molecular Weight |
357.435
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| Canonical SMILES |
C[C@@H]1CC(=O)Nc2cccc(\C=C\c3ccccc3S(N)(=O)=O)c2N1
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| InChI |
InChI=1S/C18H19N3O3S/c1-12-11-17(22)21-15-7-4-6-14(18(15)20-12)10-9-13-5-2-3-8-16(13)25(19,23)24/h2-10,12,20H,11H2,1H3,(H,21,22)(H2,19,23,24)/b10-9+/t12-/m1/s1
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| InChIKey |
YQMIISZXXWVLTM-BZYZDCJZSA-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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