General Information of the Compound
| Compound ID |
CP0867238
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| Compound Name |
(1R,3R)-1-(2,6-difluoro-4-((S)-2-((R)-3-(fluoromethyl)pyrrolidin-1-yl)propoxy)phenyl)-2-(2-fluoro-2-methylpropyl)-3-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
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| Structure |
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| Formula |
C30H37F4N3O
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| Molecular Weight |
531.638
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| Canonical SMILES |
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OC[C@H](C)N3CC[C@@H](CF)C3)cc2F)N1CC(C)(C)F
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| InChI |
InChI=1S/C30H37F4N3O/c1-18-11-23-22-7-5-6-8-26(22)35-28(23)29(37(18)17-30(3,4)34)27-24(32)12-21(13-25(27)33)38-16-19(2)36-10-9-20(14-31)15-36/h5-8,12-13,18-20,29,35H,9-11,14-17H2,1-4H3/t18-,19+,20+,29-/m1/s1
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| InChIKey |
NYLZWQVRLPAJQO-SRKDIHCLSA-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