General Information of the Compound
| Compound ID |
CP0530320
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| Compound Name |
4-N,4-N-dimethyl-2-N-[(1S,3S)-3-(thiophen-3-ylmethylamino)cyclohexyl]quinoline-2,4-diamine
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| Structure |
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| Formula |
C22H28N4S
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| Molecular Weight |
380.561
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| Canonical SMILES |
CN(C)c1cc(N[C@H]2CCC[C@@H](C2)NCc2ccsc2)nc2ccccc12
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| InChI |
InChI=1S/C22H28N4S/c1-26(2)21-13-22(25-20-9-4-3-8-19(20)21)24-18-7-5-6-17(12-18)23-14-16-10-11-27-15-16/h3-4,8-11,13,15,17-18,23H,5-7,12,14H2,1-2H3,(H,24,25)/t17-,18-/m0/s1
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| InChIKey |
JWVGKXLIZNDKOY-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