General Information of the Compound
| Compound ID |
CP0079627
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| Compound Name |
1-[(2R)-4-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-2-yl]-3-[3-(1-methyltetrazol-5-yl)-5-propan-2-ylphenyl]urea
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| Structure |
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| Formula |
C28H38FN7O
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| Molecular Weight |
507.658
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| Canonical SMILES |
C[C@H](CCN1CCC[C@@H](Cc2ccc(F)cc2)C1)NC(=O)Nc1cc(cc(c1)-c1nnnn1C)C(C)C
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| InChI |
InChI=1S/C28H38FN7O/c1-19(2)23-15-24(27-32-33-34-35(27)4)17-26(16-23)31-28(37)30-20(3)11-13-36-12-5-6-22(18-36)14-21-7-9-25(29)10-8-21/h7-10,15-17,19-20,22H,5-6,11-14,18H2,1-4H3,(H2,30,31,37)/t20-,22+/m1/s1
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| InChIKey |
CAFBEDWUSCRFBS-IRLDBZIGSA-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