General Information of the Compound
| Compound ID |
CP0966607
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| Compound Name |
SID134214409
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| Structure |
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| Formula |
C35H29BrF3N5O2
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| Molecular Weight |
688.548
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| Canonical SMILES |
Brc1ccc2nc(-c3ccc(CN4CCC(c5nc6ccccc6[nH]5)CC4)cc3)c(-c3ccccc3)nc2c1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C33H28BrN5.C2HF3O2/c34-26-14-15-29-30(20-26)36-31(23-6-2-1-3-7-23)32(35-29)24-12-10-22(11-13-24)21-39-18-16-25(17-19-39)33-37-27-8-4-5-9-28(27)38-33;3-2(4,5)1(6)7/h1-15,20,25H,16-19,21H2,(H,37,38);(H,6,7)
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| InChIKey |
DVZMHYXLBBRFRH-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