General Information of the Compound
| Compound ID |
CP0533893
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| Compound Name |
6-[2-benzamido-N-ethyl-5-(2-methylpropoxy)-4-propan-2-ylanilino]pyridine-3-carboxylic acid
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| Formula |
C28H33N3O4
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| Molecular Weight |
475.589
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| Canonical SMILES |
CCN(c1ccc(cn1)C(O)=O)c1cc(OCC(C)C)c(cc1NC(=O)c1ccccc1)C(C)C
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| InChI |
InChI=1S/C28H33N3O4/c1-6-31(26-13-12-21(16-29-26)28(33)34)24-15-25(35-17-18(2)3)22(19(4)5)14-23(24)30-27(32)20-10-8-7-9-11-20/h7-16,18-19H,6,17H2,1-5H3,(H,30,32)(H,33,34)
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| InChIKey |
VPBLZWMUUPXUPP-UHFFFAOYSA-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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