General Information of the Compound
| Compound ID |
CP0536167
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| Compound Name |
(1S,3S)-N1-(quinolin-2-yl)-N3-(thiophen-3-ylmethyl)cyclohexane-1,3-diamine
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| Structure |
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| Formula |
C20H23N3S
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| Molecular Weight |
337.492
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| Canonical SMILES |
C(N[C@H]1CCC[C@@H](C1)Nc1ccc2ccccc2n1)c1ccsc1
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| InChI |
InChI=1S/C20H23N3S/c1-2-7-19-16(4-1)8-9-20(23-19)22-18-6-3-5-17(12-18)21-13-15-10-11-24-14-15/h1-2,4,7-11,14,17-18,21H,3,5-6,12-13H2,(H,22,23)/t17-,18-/m0/s1
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| InChIKey |
OJROUYKKWDNZOD-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