General Information of the Compound
| Compound ID |
CP0768926
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| Compound Name |
2-(4-(4-(1H-indol-3-yl)piperidine-1-carbonyl)-1H-pyrazol-1-yl)pyrrolo[1,2-f][1,2,4]triazin-4(3H)-one
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| Structure |
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| Formula |
C23H21N7O2
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| Molecular Weight |
427.468
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| Canonical SMILES |
O=C(c1cnn(-c2nn3cccc3c(=O)[nH]2)c1)N1CCC(c2c[nH]c3ccccc23)CC1
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| InChI |
InChI=1S/C23H21N7O2/c31-21-20-6-3-9-29(20)27-23(26-21)30-14-16(12-25-30)22(32)28-10-7-15(8-11-28)18-13-24-19-5-2-1-4-17(18)19/h1-6,9,12-15,24H,7-8,10-11H2,(H,26,27,31)
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| InChIKey |
PNXMAAQASLZFJZ-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