General Information of the Compound
| Compound ID |
CP0360146
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| Compound Name |
1-[3-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]-3-[3-(1-methyltetrazol-5-yl)-5-propan-2-ylphenyl]urea
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| Structure |
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| Formula |
C27H36FN7O
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| Molecular Weight |
493.631
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| Canonical SMILES |
CC(C)c1cc(NC(=O)NCCCN2CCC[C@@H](Cc3ccc(F)cc3)C2)cc(c1)-c1nnnn1C
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| InChI |
InChI=1S/C27H36FN7O/c1-19(2)22-15-23(26-31-32-33-34(26)3)17-25(16-22)30-27(36)29-11-5-13-35-12-4-6-21(18-35)14-20-7-9-24(28)10-8-20/h7-10,15-17,19,21H,4-6,11-14,18H2,1-3H3,(H2,29,30,36)/t21-/m0/s1
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| InChIKey |
JHSQADBOQIOZCJ-NRFANRHFSA-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