General Information of the Compound
| Compound ID |
CP0969812
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| Compound Name |
(E)-3-(3,5-Difluoro-4-(2'-(2-fluoro-2-methylpropyl)-1',2',4',9'-tetrahydrospiro[cyclopropane-1,3'-pyrido[3,4-b]indol]-1'-yl)-phenyl)acrylic Acid
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| Structure |
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| Formula |
C26H25F3N2O2
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| Molecular Weight |
454.492
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| Canonical SMILES |
CC(C)(F)CN1[C@H](c2c(F)cc(/C=C/C(=O)O)cc2F)c2[nH]c3ccccc3c2CC12CC2
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| InChI |
InChI=1S/C26H25F3N2O2/c1-25(2,29)14-31-24(22-18(27)11-15(12-19(22)28)7-8-21(32)33)23-17(13-26(31)9-10-26)16-5-3-4-6-20(16)30-23/h3-8,11-12,24,30H,9-10,13-14H2,1-2H3,(H,32,33)/b8-7+/t24-/m1/s1
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| InChIKey |
RTNFRIVYDMXMMB-PRSVDJLGSA-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