General Information of the Compound
| Compound ID |
CP0321346
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| Compound Name |
1-[(2S)-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 |
C25H32FN7O
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| Molecular Weight |
465.577
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| Canonical SMILES |
C[C@@H](CCN1CCC[C@@H](Cc2ccc(F)cc2)C1)NC(=O)Nc1cccc(c1)-c1nnnn1C
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| InChI |
InChI=1S/C25H32FN7O/c1-18(12-14-33-13-4-5-20(17-33)15-19-8-10-22(26)11-9-19)27-25(34)28-23-7-3-6-21(16-23)24-29-30-31-32(24)2/h3,6-11,16,18,20H,4-5,12-15,17H2,1-2H3,(H2,27,28,34)/t18-,20-/m0/s1
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| InChIKey |
RRHZFCXDULLQHS-ICSRJNTNSA-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