General Information of the Compound
| Compound ID |
CP0237413
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| Compound Name |
(1S,2R,3S,4R,5S)-4-[2-chloro-6-(dicyclopropylmethylamino)purin-9-yl]-2,3-dihydroxybicyclo[3.1.0]hexane-1-carboxylic acid
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| Structure |
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| Formula |
C19H22ClN5O4
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| Molecular Weight |
419.869
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| Canonical SMILES |
O[C@@H]1[C@H](O)[C@@]2(C[C@@H]2[C@H]1n1cnc2c(NC(C3CC3)C3CC3)nc(Cl)nc12)C(O)=O
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| InChI |
InChI=1S/C19H22ClN5O4/c20-18-23-15(22-10(7-1-2-7)8-3-4-8)11-16(24-18)25(6-21-11)12-9-5-19(9,17(28)29)14(27)13(12)26/h6-10,12-14,26-27H,1-5H2,(H,28,29)(H,22,23,24)/t9-,12-,13+,14+,19+/m1/s1
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| InChIKey |
MXSZGMLCJHWAHX-DDSJFFGXSA-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