General Information of the Compound
| Compound ID |
CP0350083
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| Compound Name |
1-[(3R)-1-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]pentan-3-yl]-3-[3-(2-hydroxypropan-2-yl)-5-(1-methyltetrazol-5-yl)phenyl]urea
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| Structure |
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| Formula |
C29H40FN7O2
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| Molecular Weight |
537.684
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| Canonical SMILES |
CC[C@H](CCN1CCC[C@@H](Cc2ccc(F)cc2)C1)NC(=O)Nc1cc(cc(c1)C(C)(C)O)-c1nnnn1C
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| InChI |
InChI=1S/C29H40FN7O2/c1-5-25(12-14-37-13-6-7-21(19-37)15-20-8-10-24(30)11-9-20)31-28(38)32-26-17-22(27-33-34-35-36(27)4)16-23(18-26)29(2,3)39/h8-11,16-18,21,25,39H,5-7,12-15,19H2,1-4H3,(H2,31,32,38)/t21-,25+/m0/s1
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| InChIKey |
NQAYKLXCSBWKMD-SQJMNOBHSA-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