General Information of the Compound
| Compound ID |
CP0461385
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| Compound Name |
3-{Cyclobutyl[3-(5-fluoro-1H-indol-3-yl)propyl]amino}-N-cyclopropyl-8-fluorochromane-5-carboxamide
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| Structure |
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| Formula |
C28H31F2N3O2
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| Molecular Weight |
479.571
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| Canonical SMILES |
Fc1ccc2[nH]cc(CCCN(C3CCC3)C3COc4c(F)ccc(C(=O)NC5CC5)c4C3)c2c1
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| InChI |
InChI=1S/C28H31F2N3O2/c29-18-6-11-26-23(13-18)17(15-31-26)3-2-12-33(20-4-1-5-20)21-14-24-22(28(34)32-19-7-8-19)9-10-25(30)27(24)35-16-21/h6,9-11,13,15,19-21,31H,1-5,7-8,12,14,16H2,(H,32,34)
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| InChIKey |
KFSYSSDWPKWGAJ-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