General Information of the Compound
| Compound ID |
CP0327525
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| Compound Name |
N-[3-[(3R)-5-amino-3-(difluoromethyl)-1,9-dioxa-4-azaspiro[5.5]undec-4-en-3-yl]-4-fluorophenyl]-5-cyano-3-methylpyridine-2-carboxamide
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| Structure |
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| Formula |
C23H22F3N5O3
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| Molecular Weight |
473.455
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| Canonical SMILES |
Cc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@@]1(COC2(CCOCC2)C(N)=N1)C(F)F)C#N
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| InChI |
InChI=1S/C23H22F3N5O3/c1-13-8-14(10-27)11-29-18(13)19(32)30-15-2-3-17(24)16(9-15)23(20(25)26)12-34-22(21(28)31-23)4-6-33-7-5-22/h2-3,8-9,11,20H,4-7,12H2,1H3,(H2,28,31)(H,30,32)/t23-/m0/s1
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| InChIKey |
CWIWTEVLXAMVIJ-QHCPKHFHSA-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