General Information of the Compound
| Compound ID |
CP0199533
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| Compound Name |
9-ethyl-6,6-dimethyl-8-[1-(oxan-4-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-11-oxo-5H-benzo[b]carbazole-3-carbonitrile
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| Structure |
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| Formula |
C32H35N3O2
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| Molecular Weight |
493.651
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| Canonical SMILES |
CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1C1=CCN(CC2CCOCC2)CC1
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| InChI |
InChI=1S/C32H35N3O2/c1-4-22-16-26-27(17-25(22)23-7-11-35(12-8-23)19-20-9-13-37-14-10-20)32(2,3)31-29(30(26)36)24-6-5-21(18-33)15-28(24)34-31/h5-7,15-17,20,34H,4,8-14,19H2,1-3H3
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| InChIKey |
HVVDUMVMNROVAL-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