General Information of the Compound
| Compound ID |
CP0344354
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| Compound Name |
1-((3R,4R)-3-(((S)-3-(4-fluorobenzyl)piperidin-1-yl)methyl)-1-(cyclopentanecarbonyl)piperidin-4-yl)-3-(5-acetyl-4-methylthiazol-2-yl)urea
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| Structure |
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| Formula |
C31H42FN5O3S
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| Molecular Weight |
583.774
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| Canonical SMILES |
CC(=O)c1sc(NC(=O)N[C@@H]2CCN(C[C@H]2CN2CCC[C@@H](Cc3ccc(F)cc3)C2)C(=O)C2CCCC2)nc1C
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| InChI |
InChI=1S/C31H42FN5O3S/c1-20-28(21(2)38)41-31(33-20)35-30(40)34-27-13-15-37(29(39)24-7-3-4-8-24)19-25(27)18-36-14-5-6-23(17-36)16-22-9-11-26(32)12-10-22/h9-12,23-25,27H,3-8,13-19H2,1-2H3,(H2,33,34,35,40)/t23-,25+,27+/m0/s1
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| InChIKey |
VZAFNNYJNKDUHB-VXQMPNGUSA-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