General Information of the Compound
| Compound ID |
CP0003767
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| Compound Name |
(2R,3S,4R,5R)-2-[(R)-(4-chlorophenyl)-hydroxymethyl]-5-(5-hydroxy-3,6,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraen-10-yl)oxolane-3,4-diol
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| Structure |
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| Formula |
C19H19ClN4O5
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| Molecular Weight |
418.837
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| Canonical SMILES |
O[C@@H]([C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2C3=NCC(O)N3C=Nc12)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C19H19ClN4O5/c20-10-3-1-9(2-4-10)13(26)16-14(27)15(28)19(29-16)23-6-5-11-17-21-7-12(25)24(17)8-22-18(11)23/h1-6,8,12-16,19,25-28H,7H2/t12?,13-,14+,15-,16-,19-/m1/s1
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| InChIKey |
LTPABOINPMWTKU-BHUSIORFSA-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