General Information of the Compound
| Compound ID |
CP0377960
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| Compound Name |
1-{(1R,2S)-2-[3-(4-Fluoro-benzyl)-piperidin-1-ylmethyl]-cyclohexyl}-3-(1H-indazol-5-yl)-urea
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| Structure |
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| Formula |
C27H34FN5O
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| Molecular Weight |
463.601
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| Canonical SMILES |
Fc1ccc(CC2CCCN(C[C@@H]3CCCC[C@H]3NC(=O)Nc3ccc4[nH]ncc4c3)C2)cc1
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| InChI |
InChI=1S/C27H34FN5O/c28-23-9-7-19(8-10-23)14-20-4-3-13-33(17-20)18-21-5-1-2-6-25(21)31-27(34)30-24-11-12-26-22(15-24)16-29-32-26/h7-12,15-16,20-21,25H,1-6,13-14,17-18H2,(H,29,32)(H2,30,31,34)/t20?,21-,25+/m0/s1
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| InChIKey |
MLPROCBAZKTJHS-FWDVVIQXSA-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