General Information of the Compound
| Compound ID |
CP0659139
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| Compound Name |
(S)-N-[[(1-(2-Fluoro-4-pyridinyl)cyclohexyl]methyl]-3-(1H-indol-3-yl)-2-[3-(4-methoxyphenyl)ureido]propanamide
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| Structure |
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| Formula |
C31H34FN5O3
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| Molecular Weight |
543.643
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| Canonical SMILES |
COc1ccc(NC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCC2(c3ccnc(F)c3)CCCCC2)cc1
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| InChI |
InChI=1S/C31H34FN5O3/c1-40-24-11-9-23(10-12-24)36-30(39)37-27(17-21-19-34-26-8-4-3-7-25(21)26)29(38)35-20-31(14-5-2-6-15-31)22-13-16-33-28(32)18-22/h3-4,7-13,16,18-19,27,34H,2,5-6,14-15,17,20H2,1H3,(H,35,38)(H2,36,37,39)/t27-/m0/s1
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| InChIKey |
ZNRCOWICXVSBFK-MHZLTWQESA-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