General Information of the Compound
| Compound ID |
CP0438963
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| Compound Name |
3-[8-((R)-2-amino-propyl)-2,3,6,7-tetrahydro-benzo[1,2-b;4,5-b']difuran-4-yl]-propionic acid
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| Structure |
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| Formula |
C16H21NO4
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| Molecular Weight |
291.347
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| Canonical SMILES |
C[C@@H](N)Cc1c2CCOc2c(CCC(O)=O)c2CCOc12
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| InChI |
InChI=1S/C16H21NO4/c1-9(17)8-13-12-5-7-20-15(12)10(2-3-14(18)19)11-4-6-21-16(11)13/h9H,2-8,17H2,1H3,(H,18,19)/t9-/m1/s1
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| InChIKey |
TZUQOPZXSVCNQP-SECBINFHSA-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