General Information of the Compound
| Compound ID |
CP0457564
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| Compound Name |
(1S,3S)-N1-(8-chloroquinolin-2-yl)-N3-(thiophen-3-ylmethyl)cyclohexane-1,3-diamine
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| Structure |
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| Formula |
C20H22ClN3S
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| Molecular Weight |
371.937
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| Canonical SMILES |
Clc1cccc2ccc(N[C@H]3CCC[C@@H](C3)NCc3ccsc3)nc12
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| InChI |
InChI=1S/C20H22ClN3S/c21-18-6-1-3-15-7-8-19(24-20(15)18)23-17-5-2-4-16(11-17)22-12-14-9-10-25-13-14/h1,3,6-10,13,16-17,22H,2,4-5,11-12H2,(H,23,24)/t16-,17-/m0/s1
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| InChIKey |
VQESGCHIQRXXSM-IRXDYDNUSA-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