General Information of the Compound
| Compound ID |
CP0197649
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| Compound Name |
phenylpropanoic acid derivative, 66
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| Structure |
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| Formula |
C25H25N3O3
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| Molecular Weight |
415.493
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| Canonical SMILES |
Cc1oc(nc1CCNc1ccc(C[C@@H](C(O)=O)n2cccc2)cc1)-c1ccccc1
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| InChI |
InChI=1S/C25H25N3O3/c1-18-22(27-24(31-18)20-7-3-2-4-8-20)13-14-26-21-11-9-19(10-12-21)17-23(25(29)30)28-15-5-6-16-28/h2-12,15-16,23,26H,13-14,17H2,1H3,(H,29,30)/t23-/m0/s1
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| InChIKey |
HBGMBWWOCFYKFE-QHCPKHFHSA-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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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound