General Information of the Compound
| Compound ID |
CP0527243
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| Compound Name |
(R,R)-4
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| Structure |
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| Formula |
C17H22N2O3
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| Molecular Weight |
302.374
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| Canonical SMILES |
C[C@H](Cc1cccc(N)c1)NC[C@H](O)c1cc(O)cc(O)c1
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| InChI |
InChI=1S/C17H22N2O3/c1-11(5-12-3-2-4-14(18)6-12)19-10-17(22)13-7-15(20)9-16(21)8-13/h2-4,6-9,11,17,19-22H,5,10,18H2,1H3/t11-,17+/m1/s1
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| InChIKey |
YSDUJIGQJOLYND-DIFFPNOSSA-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