General Information of the Compound
| Compound ID |
CP0955211
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| Compound Name |
2-(5-methyl-4-(1-(piperidine-1-carbonyl)-6-azaspiro[2.5]octane-6-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 |
C24H29N7O3
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| Molecular Weight |
463.542
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| Canonical SMILES |
Cc1c(C(=O)N2CCC3(CC2)CC3C(=O)N2CCCCC2)cnn1-c1nn2cccc2c(=O)[nH]1
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| InChI |
InChI=1S/C24H29N7O3/c1-16-17(15-25-31(16)23-26-20(32)19-6-5-11-30(19)27-23)21(33)29-12-7-24(8-13-29)14-18(24)22(34)28-9-3-2-4-10-28/h5-6,11,15,18H,2-4,7-10,12-14H2,1H3,(H,26,27,32)
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| InChIKey |
OHWKMBXRTJYKNO-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