General Information of the Compound
| Compound ID |
CP0452768
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| Compound Name |
3-(((1S,3S)-3-(7-methoxy-4-methylquinolin-2-ylamino)cyclopentylamino)methyl)-1-methyl-1H-indole-7-carbonitrile
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| Structure |
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| Formula |
C27H29N5O
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| Molecular Weight |
439.563
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| Canonical SMILES |
COc1ccc2c(C)cc(N[C@H]3CC[C@@H](C3)NCc3cn(C)c4c(cccc34)C#N)nc2c1
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| InChI |
InChI=1S/C27H29N5O/c1-17-11-26(31-25-13-22(33-3)9-10-23(17)25)30-21-8-7-20(12-21)29-15-19-16-32(2)27-18(14-28)5-4-6-24(19)27/h4-6,9-11,13,16,20-21,29H,7-8,12,15H2,1-3H3,(H,30,31)/t20-,21-/m0/s1
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| InChIKey |
KAGSPAMVFIKNMJ-SFTDATJTSA-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