General Information of the Compound
| Compound ID |
CP0042075
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| Compound Name |
2-[3-[(E)-2-cyano-3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxoprop-1-enyl]indol-1-yl]acetic acid
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| Structure |
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| Formula |
C23H19N3O3
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| Molecular Weight |
385.423
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| Canonical SMILES |
OC(=O)Cn1cc(\C=C(/C#N)C(=O)N2CCCc3ccccc23)c2ccccc12
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| InChI |
InChI=1S/C23H19N3O3/c24-13-17(23(29)26-11-5-7-16-6-1-3-9-20(16)26)12-18-14-25(15-22(27)28)21-10-4-2-8-19(18)21/h1-4,6,8-10,12,14H,5,7,11,15H2,(H,27,28)/b17-12+
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| InChIKey |
GPOINCDNNRDNCO-SFQUDFHCSA-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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