General Information of the Compound
| Compound ID |
CP0215697
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| Compound Name |
3-(5-((4-(aminomethyl)piperidin-1-yl)methyl)-1H-indol-2-yl)-2-oxo-1,2-dihydroquinoline-6-carbonitrile
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| Structure |
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| Formula |
C25H25N5O
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| Molecular Weight |
411.509
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| Canonical SMILES |
NCC1CCN(Cc2ccc3[nH]c(cc3c2)-c2cc3cc(ccc3[nH]c2=O)C#N)CC1
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| InChI |
InChI=1S/C25H25N5O/c26-13-16-5-7-30(8-6-16)15-18-2-4-22-20(10-18)12-24(28-22)21-11-19-9-17(14-27)1-3-23(19)29-25(21)31/h1-4,9-12,16,28H,5-8,13,15,26H2,(H,29,31)
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| InChIKey |
NWQVZCBTPOUGFM-UHFFFAOYSA-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