General Information of the Compound
| Compound ID |
CP0464532
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| Compound Name |
N-methyl-N-[2-[[(1S,3S)-3-(thiophen-3-ylmethylamino)cyclohexyl]amino]quinolin-6-yl]acetamide
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| Structure |
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| Formula |
C23H28N4OS
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| Molecular Weight |
408.571
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| Canonical SMILES |
CN(C(C)=O)c1ccc2nc(N[C@H]3CCC[C@@H](C3)NCc3ccsc3)ccc2c1
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| InChI |
InChI=1S/C23H28N4OS/c1-16(28)27(2)21-7-8-22-18(12-21)6-9-23(26-22)25-20-5-3-4-19(13-20)24-14-17-10-11-29-15-17/h6-12,15,19-20,24H,3-5,13-14H2,1-2H3,(H,25,26)/t19-,20-/m0/s1
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| InChIKey |
RHXWKDDCBZMTOZ-PMACEKPBSA-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