General Information of the Compound
| Compound ID |
CP0717107
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| Compound Name |
(S)-N-(3-(4-Amino-6-methyl-5-azaspiro[2.5]oct-4-en-6-yl)-4-fluorophenyl)-5-chloropicolinamide
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| Structure |
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| Formula |
C20H20ClFN4O
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| Molecular Weight |
386.858
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| Canonical SMILES |
C[C@@]1(c2cc(NC(=O)c3ccc(Cl)cn3)ccc2F)CCC2(CC2)C(N)=N1
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| InChI |
InChI=1S/C20H20ClFN4O/c1-19(6-7-20(8-9-20)18(23)26-19)14-10-13(3-4-15(14)22)25-17(27)16-5-2-12(21)11-24-16/h2-5,10-11H,6-9H2,1H3,(H2,23,26)(H,25,27)/t19-/m0/s1
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| InChIKey |
RAZJMBZQZOFYHI-IBGZPJMESA-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