General Information of the Compound
| Compound ID |
CP0375389
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| Compound Name |
(3R)-(+)-8-Fluoro-3-[{[6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl]methyl}(propyl)amino]chromane-5-carboxamide
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| Structure |
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| Formula |
C26H29F2N3O2
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| Molecular Weight |
453.533
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| Canonical SMILES |
CCCN(CC1CCc2[nH]c3ccc(F)cc3c2C1)[C@H]1COc2c(F)ccc(C(N)=O)c2C1
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| InChI |
InChI=1S/C26H29F2N3O2/c1-2-9-31(17-12-21-18(26(29)32)5-6-22(28)25(21)33-14-17)13-15-3-7-23-19(10-15)20-11-16(27)4-8-24(20)30-23/h4-6,8,11,15,17,30H,2-3,7,9-10,12-14H2,1H3,(H2,29,32)/t15?,17-/m1/s1
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| InChIKey |
UFSULTLEIKMZQU-OMOCHNIRSA-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