General Information of the Compound
| Compound ID |
CP0960965
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| Compound Name |
(R/S)-1-(4-chloro-2-(1-(methylamino)ethyl)benzyl)-2-thioxo-1,2,3,5-tetrahydro-4H-pyrrolo[3,2-d]pyrimidin-4-one
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| Structure |
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| Formula |
C16H17ClN4OS
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| Molecular Weight |
348.859
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| Canonical SMILES |
CN[C@H](C)c1cc(Cl)ccc1Cn1c(=S)[nH]c(=O)c2[nH]ccc21
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| InChI |
InChI=1S/C16H17ClN4OS/c1-9(18-2)12-7-11(17)4-3-10(12)8-21-13-5-6-19-14(13)15(22)20-16(21)23/h3-7,9,18-19H,8H2,1-2H3,(H,20,22,23)/t9-/m1/s1
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| InChIKey |
KMQDMKOHXUMLRM-SECBINFHSA-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