General Information of the Compound
| Compound ID |
CP0556780
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| Compound Name |
(E)-3-[3,5-difluoro-4-[(1R,12S)-16-(2-fluoro-2-methylpropyl)-3,16-diazatetracyclo[10.3.1.02,10.04,9]hexadeca-2(10),4,6,8,13-pentaen-1-yl]phenyl]prop-2-enoic acid
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| Structure |
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| Formula |
C27H25F3N2O2
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| Molecular Weight |
466.503
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| Canonical SMILES |
CC(C)(F)CN1[C@H]2Cc3c([nH]c4ccccc34)[C@@]1(CC=C2)c1c(F)cc(\C=C\C(O)=O)cc1F
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| InChI |
InChI=1S/C27H25F3N2O2/c1-26(2,30)15-32-17-6-5-11-27(32,25-19(14-17)18-7-3-4-8-22(18)31-25)24-20(28)12-16(13-21(24)29)9-10-23(33)34/h3-10,12-13,17,31H,11,14-15H2,1-2H3,(H,33,34)/b10-9+/t17-,27-/m1/s1
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| InChIKey |
PCKKIHGDLPBTJU-SAEWTEAUSA-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