General Information of the Compound
| Compound ID |
CP0356959
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| Compound Name |
cyclopropyl-[6-[4-[[4-[1-cyclopropyl-3-(3,3-difluorocyclobutyl)pyrazol-4-yl]oxypyridin-2-yl]amino]pyridin-2-yl]-6-hydroxy-2-azaspiro[3.3]heptan-2-yl]methanone
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| Formula |
C30H32F2N6O3
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| Molecular Weight |
562.621
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| Canonical SMILES |
OC1(CC2(CN(C2)C(=O)C2CC2)C1)c1cc(Nc2cc(Oc3cn(nc3C3CC(F)(F)C3)C3CC3)ccn2)ccn1
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| InChI |
InChI=1S/C30H32F2N6O3/c31-30(32)11-19(12-30)26-23(13-38(36-26)21-3-4-21)41-22-6-8-34-25(10-22)35-20-5-7-33-24(9-20)29(40)14-28(15-29)16-37(17-28)27(39)18-1-2-18/h5-10,13,18-19,21,40H,1-4,11-12,14-17H2,(H,33,34,35)
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| InChIKey |
NBXTWGVNLDSYMH-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