General Information of the Compound
| Compound ID |
CP0544761
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| Compound Name |
US8618299, 42
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| Structure |
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| Formula |
C26H23ClFN3O2
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| Molecular Weight |
463.94
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| Canonical SMILES |
Fc1cc(Cl)ccc1COc1ccn(-c2ccc3c4CN5CCCC5Cc4[nH]c3c2)c(=O)c1
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| InChI |
InChI=1S/C26H23ClFN3O2/c27-17-4-3-16(23(28)10-17)15-33-20-7-9-31(26(32)13-20)19-5-6-21-22-14-30-8-1-2-18(30)11-25(22)29-24(21)12-19/h3-7,9-10,12-13,18,29H,1-2,8,11,14-15H2
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| InChIKey |
MLZNBDVYTFYBFF-UHFFFAOYSA-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