General Information of the Compound
| Compound ID |
CP0008189
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| Compound Name |
(2R,3S,4R,5R)-2-[(R)-(4-chlorophenyl)-hydroxymethyl]-5-(5-methoxy-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 |
C20H21ClN4O5
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| Molecular Weight |
432.864
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| Canonical SMILES |
COC1CN=C2N1C=Nc1c2ccn1[C@@H]1O[C@H]([C@H](O)c2ccc(Cl)cc2)[C@@H](O)[C@H]1O
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| InChI |
InChI=1S/C20H21ClN4O5/c1-29-13-8-22-18-12-6-7-24(19(12)23-9-25(13)18)20-16(28)15(27)17(30-20)14(26)10-2-4-11(21)5-3-10/h2-7,9,13-17,20,26-28H,8H2,1H3/t13?,14-,15+,16-,17-,20-/m1/s1
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| InChIKey |
JNTYAYKBSNBARW-MDSNGIMYSA-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