General Information of the Compound
| Compound ID |
CP0412945
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| Compound Name |
1-[4-[(2S,5S)-5-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]methyl]oxolan-2-yl]but-3-ynyl]-1-hydroxyurea
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| Structure |
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| Formula |
C27H32F2N4O3
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| Molecular Weight |
498.574
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| Canonical SMILES |
NC(=O)N(O)CCC#C[C@@H]1CC[C@@H](CN2CCN(CC2)C(c2ccc(F)cc2)c2ccc(F)cc2)O1
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| InChI |
InChI=1S/C27H32F2N4O3/c28-22-8-4-20(5-9-22)26(21-6-10-23(29)11-7-21)32-17-15-31(16-18-32)19-25-13-12-24(36-25)3-1-2-14-33(35)27(30)34/h4-11,24-26,35H,2,12-19H2,(H2,30,34)/t24-,25+/m1/s1
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| InChIKey |
DOXXMQHNZRHZPH-RPBOFIJWSA-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