General Information of the Compound
| Compound ID |
CP0014642
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| Compound Name |
(2R,3S,4R,5R)-2-[(R)-(4-chlorophenyl)-hydroxymethyl]-5-(10-hydroxy-5,7,9,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,7-tetraen-5-yl)oxolane-3,4-diol;hydrochloride
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| Structure |
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| Formula |
C20H22Cl2N4O5
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| Molecular Weight |
469.325
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| Canonical SMILES |
Cl.O[C@@H]([C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2c1N=CN1C(O)CCN=C21)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C20H21ClN4O5.ClH/c21-11-3-1-10(2-4-11)14(27)17-15(28)16(29)20(30-17)24-8-6-12-18-22-7-5-13(26)25(18)9-23-19(12)24;/h1-4,6,8-9,13-17,20,26-29H,5,7H2;1H/t13?,14-,15+,16-,17-,20-;/m1./s1
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| InChIKey |
TWDSCFQNOKWYNM-XPURXKFLSA-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