General Information of the Compound
| Compound ID |
CP0136073
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| Compound Name |
(3S,4S)-tert-butyl 4-(((S)-3-(4-fluorobenzyl)piperidin-1-yl)methyl)-3-(3-(5-acetyl-4-methylthiazol-2-yl)ureido)piperidine-1-carboxylate
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| Structure |
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| Formula |
C30H42FN5O4S
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| Molecular Weight |
587.762
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| Canonical SMILES |
CC(=O)c1sc(NC(=O)N[C@@H]2CN(CC[C@H]2CN2CCC[C@@H](Cc3ccc(F)cc3)C2)C(=O)OC(C)(C)C)nc1C
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| InChI |
InChI=1S/C30H42FN5O4S/c1-19-26(20(2)37)41-28(32-19)34-27(38)33-25-18-36(29(39)40-30(3,4)5)14-12-23(25)17-35-13-6-7-22(16-35)15-21-8-10-24(31)11-9-21/h8-11,22-23,25H,6-7,12-18H2,1-5H3,(H2,32,33,34,38)/t22-,23-,25+/m0/s1
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| InChIKey |
ULFGYOICMCABPV-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