General Information of the Compound
| Compound ID |
CP0875095
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| Compound Name |
5,5-difluoro-1,3,7,9-tetramethyl-10-(3-((4-(3-(((endo)-9-methyl-9azabicyclo[3.3.1]nonan-3-yl)carbamoyl)-1H-indazol-1-yl)butanoyl)oxy)propyl)-5H-dipyrrolo[1,2-c:2',1'-f][1,3,2]diazaborinin-4-ium-5-uide
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| Formula |
C37H47BF2N6O3
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| Molecular Weight |
672.63
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| Canonical SMILES |
CC1=CC(C)=[N+]2C1=C(CCCOC(=O)CCCn1nc(C(=O)N[C@@H]3C[C@H]4CCC[C@@H](C3)N4C)c3ccccc31)c1c(C)cc(C)n1[B-]2(F)F
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| InChI |
InChI=1S/C37H47BF2N6O3/c1-23-19-25(3)45-35(23)31(36-24(2)20-26(4)46(36)38(45,39)40)14-10-18-49-33(47)16-9-17-44-32-15-7-6-13-30(32)34(42-44)37(48)41-27-21-28-11-8-12-29(22-27)43(28)5/h6-7,13,15,19-20,27-29H,8-12,14,16-18,21-22H2,1-5H3,(H,41,48)/t27-,28-,29+
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| InChIKey |
VMAWYVBPAWZAGD-HNJRQWSBSA-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