General Information of the Compound
| Compound ID |
CP0263953
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| Compound Name |
N-[(1S,3R)-1-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]-3-[[3-(1-methyltetrazol-5-yl)phenyl]carbamoylamino]butyl]acetamide
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| Structure |
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| Formula |
C27H35FN8O2
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| Molecular Weight |
522.629
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| Canonical SMILES |
C[C@H](C[C@@H](NC(C)=O)N1CCC[C@@H](Cc2ccc(F)cc2)C1)NC(=O)Nc1cccc(c1)-c1nnnn1C
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| InChI |
InChI=1S/C27H35FN8O2/c1-18(29-27(38)31-24-8-4-7-22(16-24)26-32-33-34-35(26)3)14-25(30-19(2)37)36-13-5-6-21(17-36)15-20-9-11-23(28)12-10-20/h4,7-12,16,18,21,25H,5-6,13-15,17H2,1-3H3,(H,30,37)(H2,29,31,38)/t18-,21+,25+/m1/s1
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| InChIKey |
JTRFENATSPZVNG-QLWBXOBMSA-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