General Information of the Compound
| Compound ID |
CP0542998
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| Compound Name |
1-[2-(Aminomethyl)-4-chlorobenzyl]-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 |
C14H13ClN4OS
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| Molecular Weight |
320.805
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| Canonical SMILES |
NCc1cc(Cl)ccc1Cn1c2cc[nH]c2c(=O)[nH]c1=S
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| InChI |
InChI=1S/C14H13ClN4OS/c15-10-2-1-8(9(5-10)6-16)7-19-11-3-4-17-12(11)13(20)18-14(19)21/h1-5,17H,6-7,16H2,(H,18,20,21)
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| InChIKey |
MFCVOLWLNXXQFY-UHFFFAOYSA-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