General Information of the Compound
| Compound ID |
CP0574409
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| Compound Name |
7-(2-hydroxypropan-2-yl)-4-[3-[2-(prop-2-enoylamino)propan-2-yl]phenyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
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| Structure |
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| Formula |
C28H33N3O3
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| Molecular Weight |
459.59
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| Canonical SMILES |
CC(C)(O)C1CCc2c(C1)[nH]c1c(ccc(-c3cccc(c3)C(C)(C)NC(=O)C=C)c21)C(N)=O
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| InChI |
InChI=1S/C28H33N3O3/c1-6-23(32)31-27(2,3)17-9-7-8-16(14-17)19-12-13-21(26(29)33)25-24(19)20-11-10-18(28(4,5)34)15-22(20)30-25/h6-9,12-14,18,30,34H,1,10-11,15H2,2-5H3,(H2,29,33)(H,31,32)
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| InChIKey |
DYFPMTSWCLHGHL-UHFFFAOYSA-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