General Information of the Compound
| Compound ID |
CP0870438
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| Compound Name |
N-(4-((1R,3R)-2-(2,2-Difluoro-3-methoxypropyl)-3-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-3,5-difluorophenyl)-1-(3-fluoropropyl)azetidin-3-amine
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| Formula |
C28H33F5N4O
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| Molecular Weight |
536.589
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| Canonical SMILES |
COCC(F)(F)CN1[C@H](c2c(F)cc(NC3CN(CCCF)C3)cc2F)c2[nH]c3ccccc3c2C[C@H]1C
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| InChI |
InChI=1S/C28H33F5N4O/c1-17-10-21-20-6-3-4-7-24(20)35-26(21)27(37(17)15-28(32,33)16-38-2)25-22(30)11-18(12-23(25)31)34-19-13-36(14-19)9-5-8-29/h3-4,6-7,11-12,17,19,27,34-35H,5,8-10,13-16H2,1-2H3/t17-,27-/m1/s1
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| InChIKey |
DNUWTEMWTOXGIK-XGCWNURASA-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