General Information of the Compound
| Compound ID |
CP0375387
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| Compound Name |
3-{Cyclobutyl[3-(5-fluoro-1H-indol-3-yl)propyl]amino}-N-ethyl-8-fluorochromane-5-carboxamide
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| Structure |
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| Formula |
C27H31F2N3O2
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| Molecular Weight |
467.56
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| Canonical SMILES |
CCNC(=O)c1ccc(F)c2OCC(Cc12)N(CCCc1c[nH]c2ccc(F)cc12)C1CCC1
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| InChI |
InChI=1S/C27H31F2N3O2/c1-2-30-27(33)21-9-10-24(29)26-23(21)14-20(16-34-26)32(19-6-3-7-19)12-4-5-17-15-31-25-11-8-18(28)13-22(17)25/h8-11,13,15,19-20,31H,2-7,12,14,16H2,1H3,(H,30,33)
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| InChIKey |
QBSITFVJIIPBDQ-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
Protein ID: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT00871, Sodium-dependent serotonin transporter