General Information of the Compound
| Compound ID |
CP0185596
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| Compound Name |
5,8-dichloro-3-propyl-1,2,3,4-tetrahydrocyclopenta[b]indole-3-carboxylic acid
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| Structure |
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| Formula |
C15H15Cl2NO2
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| Molecular Weight |
312.196
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| Canonical SMILES |
CCCC1(CCc2c1[nH]c1c(Cl)ccc(Cl)c21)C(O)=O
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| InChI |
InChI=1S/C15H15Cl2NO2/c1-2-6-15(14(19)20)7-5-8-11-9(16)3-4-10(17)12(11)18-13(8)15/h3-4,18H,2,5-7H2,1H3,(H,19,20)
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| InChIKey |
ZEBPOFKSMDBBIP-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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