General Information of the Compound
| Compound ID |
CP0968584
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| Compound Name |
trans-(2R)-1-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutanecarbonyl]pyrrolidine-2-carboxamide
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| Formula |
C24H22F3N3O2
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| Molecular Weight |
441.453
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| Canonical SMILES |
NC(=O)[C@H]1CCCN1C(=O)[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1
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| InChI |
InChI=1S/C24H22F3N3O2/c25-15-5-3-12(4-6-15)21-20(17-10-16(26)11-18(27)22(17)29-21)13-8-14(9-13)24(32)30-7-1-2-19(30)23(28)31/h3-6,10-11,13-14,19,29H,1-2,7-9H2,(H2,28,31)/t13-,14-,19-/m1/s1
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| InChIKey |
XRXZBIMQUOJCST-PJIJBLCYSA-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