General Information of the Compound
| Compound ID |
CP0305908
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| Compound Name |
4-[1-[4-(7-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-2-yl)butanoyl]piperidin-4-yl]oxybenzonitrile
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| Structure |
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| Formula |
C23H25N5O3
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| Molecular Weight |
419.485
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| Canonical SMILES |
Cc1ccc2n1nc(CCCC(=O)N1CCC(CC1)Oc1ccc(cc1)C#N)[nH]c2=O
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| InChI |
InChI=1S/C23H25N5O3/c1-16-5-10-20-23(30)25-21(26-28(16)20)3-2-4-22(29)27-13-11-19(12-14-27)31-18-8-6-17(15-24)7-9-18/h5-10,19H,2-4,11-14H2,1H3,(H,25,26,30)
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| InChIKey |
CEKWANGMSIIGAG-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