General Information of the Compound
| Compound ID |
CP0203245
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| Compound Name |
(1S,2R,3S,4R,5S)-4-[2-chloro-6-(dimethylamino)purin-9-yl]-2,3-dihydroxybicyclo[3.1.0]hexane-1-carboxylic acid
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| Structure |
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| Formula |
C14H16ClN5O4
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| Molecular Weight |
353.766
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| Canonical SMILES |
CN(C)c1nc(Cl)nc2n(cnc12)[C@@H]1[C@H]2C[C@]2([C@@H](O)[C@H]1O)C(O)=O
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| InChI |
InChI=1S/C14H16ClN5O4/c1-19(2)10-6-11(18-13(15)17-10)20(4-16-6)7-5-3-14(5,12(23)24)9(22)8(7)21/h4-5,7-9,21-22H,3H2,1-2H3,(H,23,24)/t5-,7-,8+,9+,14+/m1/s1
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| InChIKey |
OHWUCTKGHKECPG-RGUAOFKASA-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
Protein ID: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01019, 5-hydroxytryptamine receptor 2B
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C
Protein ID: PT05120, Transmembrane domain-containing protein TMIGD3