General Information of the Compound
| Compound ID |
CP0216414
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| Compound Name |
1-((3R,4R)-3-(((S)-3-(4-fluorobenzyl)piperidin-1-yl)methyl)-1-(furan-2-ylmethyl)piperidin-4-yl)-3-(5-acetyl-4-methylthiazol-2-yl)urea
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| Structure |
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| Formula |
C30H38FN5O3S
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| Molecular Weight |
567.731
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| Canonical SMILES |
CC(=O)c1sc(NC(=O)N[C@@H]2CCN(Cc3ccco3)C[C@H]2CN2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C
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| InChI |
InChI=1S/C30H38FN5O3S/c1-20-28(21(2)37)40-30(32-20)34-29(38)33-27-11-13-36(19-26-6-4-14-39-26)18-24(27)17-35-12-3-5-23(16-35)15-22-7-9-25(31)10-8-22/h4,6-10,14,23-24,27H,3,5,11-13,15-19H2,1-2H3,(H2,32,33,34,38)/t23-,24+,27+/m0/s1
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| InChIKey |
FRPOMOOESVDDAO-CLCZQPDDSA-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