General Information of the Compound
| Compound ID |
CP0344493
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| Compound Name |
1-[(2R,4S)-4-amino-4-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-2-yl]-3-[3-(1-methyltetrazol-5-yl)phenyl]urea
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| Structure |
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| Formula |
C25H33FN8O
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| Molecular Weight |
480.592
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| Canonical SMILES |
C[C@H](C[C@@H](N)N1CCC[C@@H](Cc2ccc(F)cc2)C1)NC(=O)Nc1cccc(c1)-c1nnnn1C
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| InChI |
InChI=1S/C25H33FN8O/c1-17(28-25(35)29-22-7-3-6-20(15-22)24-30-31-32-33(24)2)13-23(27)34-12-4-5-19(16-34)14-18-8-10-21(26)11-9-18/h3,6-11,15,17,19,23H,4-5,12-14,16,27H2,1-2H3,(H2,28,29,35)/t17-,19+,23+/m1/s1
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| InChIKey |
KLUPWQNJJYFUHQ-FHJLPGHOSA-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