General Information of the Compound
| Compound ID |
CP0576814
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| Compound Name |
5-chloro-4-N-piperidin-4-yl-2-N-(5-thiophen-3-ylpyridin-2-yl)pyrimidine-2,4-diamine
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| Structure |
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| Formula |
C18H19ClN6S
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| Molecular Weight |
386.912
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| Canonical SMILES |
Clc1cnc(Nc2ccc(cn2)-c2ccsc2)nc1NC1CCNCC1
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| InChI |
InChI=1S/C18H19ClN6S/c19-15-10-22-18(25-17(15)23-14-3-6-20-7-4-14)24-16-2-1-12(9-21-16)13-5-8-26-11-13/h1-2,5,8-11,14,20H,3-4,6-7H2,(H2,21,22,23,24,25)
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| InChIKey |
MZYMYTQHMMTSON-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