General Information of the Compound
| Compound ID |
CP0035824
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| Compound Name |
1-[(1R,3R)-1-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]-1-hydroxyhexan-3-yl]-3-[3-(1-methyltetrazol-5-yl)phenyl]urea
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| Structure |
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| Formula |
C27H36FN7O2
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| Molecular Weight |
509.63
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| Canonical SMILES |
CCC[C@H](C[C@@H](O)N1CCC[C@@H](Cc2ccc(F)cc2)C1)NC(=O)Nc1cccc(c1)-c1nnnn1C
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| InChI |
InChI=1S/C27H36FN7O2/c1-3-6-23(29-27(37)30-24-9-4-8-21(16-24)26-31-32-33-34(26)2)17-25(36)35-14-5-7-20(18-35)15-19-10-12-22(28)13-11-19/h4,8-13,16,20,23,25,36H,3,5-7,14-15,17-18H2,1-2H3,(H2,29,30,37)/t20-,23+,25+/m0/s1
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| InChIKey |
YVVCYGCCIFEDCL-QUURXOELSA-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