General Information of the Compound
| Compound ID |
CP0900522
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| Compound Name |
SID131447425
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| Structure |
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| Formula |
C24H21FN2O2
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| Molecular Weight |
388.442
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| Canonical SMILES |
N#C[C@H]1[C@H](c2ccc(C#Cc3ccccc3F)cc2)[C@H](CO)N1C(=O)C1CCC1
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| InChI |
InChI=1S/C24H21FN2O2/c25-20-7-2-1-4-17(20)11-8-16-9-12-18(13-10-16)23-21(14-26)27(22(23)15-28)24(29)19-5-3-6-19/h1-2,4,7,9-10,12-13,19,21-23,28H,3,5-6,15H2/t21-,22-,23-/m0/s1
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| InChIKey |
FUCQZHVZFGOCPU-VABKMULXSA-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