General Information of the Compound
| Compound ID |
CP0557567
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| Compound Name |
4-[6-(3-phenylpropylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]phenol
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| Structure |
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| Formula |
C24H27NOS
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| Molecular Weight |
377.553
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| Canonical SMILES |
Oc1ccc(cc1)-c1cc2CCC(CCc2s1)NCCCc1ccccc1
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| InChI |
InChI=1S/C24H27NOS/c26-22-13-9-19(10-14-22)24-17-20-8-11-21(12-15-23(20)27-24)25-16-4-7-18-5-2-1-3-6-18/h1-3,5-6,9-10,13-14,17,21,25-26H,4,7-8,11-12,15-16H2
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| InChIKey |
AXGBTJWSECLUHH-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