General Information of the Compound
| Compound ID |
CP0947079
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| Compound Name |
SID131447493
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| Structure |
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| Formula |
C25H23FN2O2
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| Molecular Weight |
402.469
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| Canonical SMILES |
N#C[C@H]1[C@@H](c2ccc(C#Cc3ccc(F)cc3)cc2)[C@H](CO)N1C(=O)C1CCCC1
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| InChI |
InChI=1S/C25H23FN2O2/c26-21-13-9-18(10-14-21)6-5-17-7-11-19(12-8-17)24-22(15-27)28(23(24)16-29)25(30)20-3-1-2-4-20/h7-14,20,22-24,29H,1-4,16H2/t22-,23-,24+/m0/s1
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| InChIKey |
MIPGRYJRHJYOOI-KMDXXIMOSA-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