General Information of the Compound
| Compound ID |
CP0251719
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| Compound Name |
6-(4-chlorophenyl)-3-[6-[3-(3-hydroxyazetidin-1-yl)pyrrolidin-1-yl]pyridin-3-yl]pyrrolo[2,1-f][1,2,4]triazin-4-one
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| Structure |
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| Formula |
C24H23ClN6O2
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| Molecular Weight |
462.941
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| Canonical SMILES |
OC1CN(C1)C1CCN(C1)c1ccc(cn1)-n1cnn2cc(cc2c1=O)-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C24H23ClN6O2/c25-18-3-1-16(2-4-18)17-9-22-24(33)30(15-27-31(22)11-17)19-5-6-23(26-10-19)28-8-7-20(12-28)29-13-21(32)14-29/h1-6,9-11,15,20-21,32H,7-8,12-14H2
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| InChIKey |
NAYKAMBMTPIGPM-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