General Information of the Compound
| Compound ID |
CP0348148
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| Compound Name |
methyl 5-chloro-3-(4-hydroxy-3,5-dimethoxybenzoyl)-1H-indole-2-carboxylate
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| Structure |
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| Formula |
C19H16ClNO6
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| Molecular Weight |
389.791
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| Canonical SMILES |
COC(=O)c1[nH]c2ccc(Cl)cc2c1C(=O)c1cc(OC)c(O)c(OC)c1
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| InChI |
InChI=1S/C19H16ClNO6/c1-25-13-6-9(7-14(26-2)18(13)23)17(22)15-11-8-10(20)4-5-12(11)21-16(15)19(24)27-3/h4-8,21,23H,1-3H3
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| InChIKey |
PJMCONKSUHUFFN-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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