General Information of the Compound
| Compound ID |
CP0522852
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| Compound Name |
(1S,2S,4R,6S)-N2-(6-methoxy-4-methylquinolin-2-yl)-N6-(thiophen-3-ylmethyl)bicyclo[2.2.1]heptane-2,6-diamine
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| Structure |
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| Formula |
C23H27N3OS
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| Molecular Weight |
393.556
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| Canonical SMILES |
COc1ccc2nc(N[C@H]3C[C@H]4C[C@H](NCc5ccsc5)[C@@H]3C4)cc(C)c2c1
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| InChI |
InChI=1S/C23H27N3OS/c1-14-7-23(25-20-4-3-17(27-2)11-18(14)20)26-22-10-16-8-19(22)21(9-16)24-12-15-5-6-28-13-15/h3-7,11,13,16,19,21-22,24H,8-10,12H2,1-2H3,(H,25,26)/t16-,19+,21+,22+/m1/s1
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| InChIKey |
VQOMNSKUNPUMQB-XEHJXZTKSA-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