General Information of the Compound
| Compound ID |
CP0569620
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| Compound Name |
N-benzyl-2-chloro-5-phenylthieno[2,3-d]pyrimidin-4-amine
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| Structure |
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| Formula |
C19H14ClN3S
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| Molecular Weight |
351.862
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| Canonical SMILES |
Clc1nc(NCc2ccccc2)c2c(csc2n1)-c1ccccc1
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| InChI |
InChI=1S/C19H14ClN3S/c20-19-22-17(21-11-13-7-3-1-4-8-13)16-15(12-24-18(16)23-19)14-9-5-2-6-10-14/h1-10,12H,11H2,(H,21,22,23)
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| InChIKey |
KSALYJNXBBPMPD-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