General Information of the Compound
| Compound ID |
CP0359951
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| Compound Name |
N-[3-[(6R)-8-amino-6-(difluoromethyl)-4-oxa-7-azaspiro[2.5]oct-7-en-6-yl]-4-fluorophenyl]-5-cyano-3-methylpyridine-2-carboxamide
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| Structure |
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| Formula |
C21H18F3N5O2
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| Molecular Weight |
429.402
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| Canonical SMILES |
Cc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@@]1(COC2(CC2)C(N)=N1)C(F)F)C#N
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| InChI |
InChI=1S/C21H18F3N5O2/c1-11-6-12(8-25)9-27-16(11)17(30)28-13-2-3-15(22)14(7-13)21(18(23)24)10-31-20(4-5-20)19(26)29-21/h2-3,6-7,9,18H,4-5,10H2,1H3,(H2,26,29)(H,28,30)/t21-/m0/s1
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| InChIKey |
DHUMVRSVKMQPEU-NRFANRHFSA-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