General Information of the Compound
| Compound ID |
CP0469072
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| Compound Name |
(9-pentylcarbazol-3-yl)-piperidin-1-ylmethanethione
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| Structure |
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| Formula |
C23H28N2S
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| Molecular Weight |
364.558
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| Canonical SMILES |
CCCCCn1c2ccccc2c2cc(ccc12)C(=S)N1CCCCC1
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| InChI |
InChI=1S/C23H28N2S/c1-2-3-7-16-25-21-11-6-5-10-19(21)20-17-18(12-13-22(20)25)23(26)24-14-8-4-9-15-24/h5-6,10-13,17H,2-4,7-9,14-16H2,1H3
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| InChIKey |
XUWAFIRGUZGIAA-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