General Information of the Compound
| Compound ID |
CP0453926
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| Compound Name |
2-((1S,3S)-3-(thiophen-3-ylmethylamino)cyclohexylamino)quinoline-4-carbonitrile
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| Structure |
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| Formula |
C21H22N4S
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| Molecular Weight |
362.502
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| Canonical SMILES |
N#Cc1cc(N[C@H]2CCC[C@@H](C2)NCc2ccsc2)nc2ccccc12
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| InChI |
InChI=1S/C21H22N4S/c22-12-16-10-21(25-20-7-2-1-6-19(16)20)24-18-5-3-4-17(11-18)23-13-15-8-9-26-14-15/h1-2,6-10,14,17-18,23H,3-5,11,13H2,(H,24,25)/t17-,18-/m0/s1
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| InChIKey |
RPHLJTOVKMJCQZ-ROUUACIJSA-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