General Information of the Compound
| Compound ID |
CP0955707
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| Compound Name |
Trans-5-chloro-N-[4-(3,3-dimethyl-2-oxo-2,3-dihydro-pyrrolo[2,3-b]pyridin-1-ylmethyl)-cyclohexyl]-2-methyl-nicotinamide
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| Formula |
C23H27ClN4O2
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| Molecular Weight |
426.948
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| Canonical SMILES |
Cc1ncc(Cl)cc1C(=O)N[C@H]1CC[C@H](CN2C(=O)C(C)(C)c3cccnc32)CC1
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| InChI |
InChI=1S/C23H27ClN4O2/c1-14-18(11-16(24)12-26-14)21(29)27-17-8-6-15(7-9-17)13-28-20-19(5-4-10-25-20)23(2,3)22(28)30/h4-5,10-12,15,17H,6-9,13H2,1-3H3,(H,27,29)/t15-,17-
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| InChIKey |
ZNUSZQRRSINSIH-JCNLHEQBSA-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