General Information of the Compound
| Compound ID |
CP0453925
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| Compound Name |
(1S,3S)-N1-(6-methoxy-4-methylquinolin-2-yl)-N3-(thiophen-3-ylmethyl)cyclopentane-1,3-diamine
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| Structure |
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| Formula |
C21H25N3OS
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| Molecular Weight |
367.518
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| Canonical SMILES |
COc1ccc2nc(N[C@H]3CC[C@@H](C3)NCc3ccsc3)cc(C)c2c1
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| InChI |
InChI=1S/C21H25N3OS/c1-14-9-21(24-20-6-5-18(25-2)11-19(14)20)23-17-4-3-16(10-17)22-12-15-7-8-26-13-15/h5-9,11,13,16-17,22H,3-4,10,12H2,1-2H3,(H,23,24)/t16-,17-/m0/s1
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| InChIKey |
UZSFFJFBSMDPNT-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