General Information of the Compound
| Compound ID |
CP0962772
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| Compound Name |
6'-amino-1,3'-dimethyl-2-oxo-5-(trifluoromethoxy)-2',7'-dihydrospiro[indoline-3,4'-pyrazolo[3,4-b]pyridine]-5'-carbonitrile
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| Formula |
C17H13F3N6O2
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| Molecular Weight |
390.325
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| Canonical SMILES |
Cc1[nH]nc2c1C1(C(=O)N(C)c3ccc(OC(F)(F)F)cc31)C(C#N)=C(N)N2
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| InChI |
InChI=1S/C17H13F3N6O2/c1-7-12-14(25-24-7)23-13(22)10(6-21)16(12)9-5-8(28-17(18,19)20)3-4-11(9)26(2)15(16)27/h3-5H,22H2,1-2H3,(H2,23,24,25)
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| InChIKey |
CRIZPUGEWGISQB-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
Protein ID: PT03381, 5'-nucleotidase
Protein ID: PT04712, 5'-nucleotidase