General Information of the Compound
| Compound ID |
CP0528131
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| Compound Name |
1-((3S,4S)-4-(((S)-3-(4-fluorobenzyl)piperidin-1-yl)methyl)-1-(2-(dimethylamino)-2-oxoethyl)piperidin-3-yl)-3-(5-acetyl-4-methylthiazol-2-yl)urea
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| Structure |
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| Formula |
C29H41FN6O3S
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| Molecular Weight |
572.751
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| Canonical SMILES |
CN(C)C(=O)CN1CC[C@@H](CN2CCC[C@@H](Cc3ccc(F)cc3)C2)[C@@H](C1)NC(=O)Nc1nc(C)c(s1)C(C)=O
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| InChI |
InChI=1S/C29H41FN6O3S/c1-19-27(20(2)37)40-29(31-19)33-28(39)32-25-17-36(18-26(38)34(3)4)13-11-23(25)16-35-12-5-6-22(15-35)14-21-7-9-24(30)10-8-21/h7-10,22-23,25H,5-6,11-18H2,1-4H3,(H2,31,32,33,39)/t22-,23-,25+/m0/s1
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| InChIKey |
XKTJOAIQIBMZJU-SONWIMMPSA-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