General Information of the Compound
| Compound ID |
CP0960966
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| Compound Name |
(R)-3-(2-(1-aminoethyl)-4-chlorobenzyl)-2-thioxo-2,3-dihydro-1H-purin-6-(7H)-one
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| Structure |
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| Formula |
C14H14ClN5OS
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| Molecular Weight |
335.82
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| Canonical SMILES |
C[C@@H](N)c1cc(Cl)ccc1Cn1c(=S)[nH]c(=O)c2[nH]cnc21
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| InChI |
InChI=1S/C14H14ClN5OS/c1-7(16)10-4-9(15)3-2-8(10)5-20-12-11(17-6-18-12)13(21)19-14(20)22/h2-4,6-7H,5,16H2,1H3,(H,17,18)(H,19,21,22)/t7-/m1/s1
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| InChIKey |
SMTRVBMWPOQGJP-SSDOTTSWSA-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