General Information of the Compound
| Compound ID |
CP0476514
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| Compound Name |
4-[[4-[[4-[(1R,3R)-3-hydroxycyclopentyl]oxy-1,2-benzoxazol-3-yl]oxymethyl]piperidin-1-yl]methyl]oxan-4-ol
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| Structure |
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| Formula |
C24H34N2O6
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| Molecular Weight |
446.544
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| Canonical SMILES |
O[C@@H]1CC[C@H](C1)Oc1cccc2onc(OCC3CCN(CC4(O)CCOCC4)CC3)c12
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| InChI |
InChI=1S/C24H34N2O6/c27-18-4-5-19(14-18)31-20-2-1-3-21-22(20)23(25-32-21)30-15-17-6-10-26(11-7-17)16-24(28)8-12-29-13-9-24/h1-3,17-19,27-28H,4-16H2/t18-,19-/m1/s1
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| InChIKey |
LEMUDGVDGCOODZ-RTBURBONSA-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