General Information of the Compound
| Compound ID |
CP0423353
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| Compound Name |
N-[1-[(1aR,7bS)-3-(2-methylpyrimidin-4-yl)-1,1a,2,7b-tetrahydrocyclopropa[h][1,5]naphthyridin-6-yl]cyclopropyl]-4-fluorobenzamide
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| Structure |
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| Formula |
C24H22FN5O
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| Molecular Weight |
415.472
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| Canonical SMILES |
Cc1nccc(n1)N1C[C@@H]2C[C@@H]2c2nc(ccc12)C1(CC1)NC(=O)c1ccc(F)cc1
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| InChI |
InChI=1S/C24H22FN5O/c1-14-26-11-8-21(27-14)30-13-16-12-18(16)22-19(30)6-7-20(28-22)24(9-10-24)29-23(31)15-2-4-17(25)5-3-15/h2-8,11,16,18H,9-10,12-13H2,1H3,(H,29,31)/t16-,18-/m0/s1
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| InChIKey |
LIKLGSNBWVOPFZ-WMZOPIPTSA-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