General Information of the Compound
| Compound ID |
CP0567325
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| Compound Name |
N-[1-[(2aR,7bR)-3-(2-methylpyrimidin-4-yl)-1,2,2a,7b-tetrahydrocyclobuta[b]indol-6-yl]cyclopropyl]-4-fluorobenzamide
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| Formula |
C25H23FN4O
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| Molecular Weight |
414.484
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| Canonical SMILES |
Cc1nccc(n1)N1[C@@H]2CC[C@@H]2c2cc(ccc12)C1(CC1)NC(=O)c1ccc(F)cc1
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| InChI |
InChI=1S/C25H23FN4O/c1-15-27-13-10-23(28-15)30-21-9-7-19(21)20-14-17(4-8-22(20)30)25(11-12-25)29-24(31)16-2-5-18(26)6-3-16/h2-6,8,10,13-14,19,21H,7,9,11-12H2,1H3,(H,29,31)/t19-,21-/m1/s1
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| InChIKey |
VCLZBRMKJHVJPG-TZIWHRDSSA-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