General Information of the Compound
| Compound ID |
CP0860070
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| Compound Name |
Trans-2-chloro-N-[4-(2-oxo-2,3-dihydro-pyrrolo[2,3-b]pyridin-1-ylmethyl)-cyclohexyl]-5-trifluoromethyl-benzamide
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| Formula |
C22H21ClF3N3O2
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| Molecular Weight |
451.876
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| Canonical SMILES |
O=C(N[C@H]1CC[C@H](CN2C(=O)Cc3cccnc32)CC1)c1cc(C(F)(F)F)ccc1Cl
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| InChI |
InChI=1S/C22H21ClF3N3O2/c23-18-8-5-15(22(24,25)26)11-17(18)21(31)28-16-6-3-13(4-7-16)12-29-19(30)10-14-2-1-9-27-20(14)29/h1-2,5,8-9,11,13,16H,3-4,6-7,10,12H2,(H,28,31)/t13-,16-
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| InChIKey |
OBQYRZDQJCNPCB-SAZUREKKSA-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