General Information of the Compound
| Compound ID |
CP0953155
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| Compound Name |
trans-3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[2-(1,2,4-triazol-4-yl)ethyl]cyclobutanecarboxamide
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| Formula |
C23H20F3N5O
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| Molecular Weight |
439.441
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| Canonical SMILES |
O=C(NCCn1cnnc1)[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1
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| InChI |
InChI=1S/C23H20F3N5O/c24-16-3-1-13(2-4-16)21-20(18-9-17(25)10-19(26)22(18)30-21)14-7-15(8-14)23(32)27-5-6-31-11-28-29-12-31/h1-4,9-12,14-15,30H,5-8H2,(H,27,32)/t14-,15-
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| InChIKey |
JIIHQICUMDBCKN-SHTZXODSSA-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