General Information of the Compound
| Compound ID |
CP0509454
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| Compound Name |
[6-(4-methylpiperazin-1-yl)pyrrolo[2,1-b][1,3]benzothiazepin-3-yl]methanol
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| Structure |
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| Formula |
C18H21N3OS
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| Molecular Weight |
327.453
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| Canonical SMILES |
CN1CCN(CC1)C1=Cn2c(CO)ccc2Sc2ccccc12
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| InChI |
InChI=1S/C18H21N3OS/c1-19-8-10-20(11-9-19)16-12-21-14(13-22)6-7-18(21)23-17-5-3-2-4-15(16)17/h2-7,12,22H,8-11,13H2,1H3
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| InChIKey |
GACYTTWULSRQOC-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