General Information of the Compound
| Compound ID |
CP0464647
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| Compound Name |
1-(3-chloro-2H-indazol-5-yl)-3-[(1R,2S)-2-[[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]cyclohexyl]urea
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| Structure |
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| Formula |
C27H33ClFN5O
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| Molecular Weight |
498.046
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| Canonical SMILES |
Fc1ccc(C[C@@H]2CCCN(C[C@@H]3CCCC[C@H]3NC(=O)Nc3ccc4[nH]nc(Cl)c4c3)C2)cc1
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| InChI |
InChI=1S/C27H33ClFN5O/c28-26-23-15-22(11-12-25(23)32-33-26)30-27(35)31-24-6-2-1-5-20(24)17-34-13-3-4-19(16-34)14-18-7-9-21(29)10-8-18/h7-12,15,19-20,24H,1-6,13-14,16-17H2,(H,32,33)(H2,30,31,35)/t19-,20-,24+/m0/s1
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| InChIKey |
RDKJBOCQZSAPSZ-MZLICYQSSA-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