General Information of the Compound
| Compound ID |
CP0375381
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| Compound Name |
3-[[3-(7-Chloro-1H-indol-3-yl)propyl](cyclobutyl)amino]-8-fluorochromane-5-carboxamide
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| Structure |
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| Formula |
C25H27ClFN3O2
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| Molecular Weight |
455.961
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| Canonical SMILES |
NC(=O)c1ccc(F)c2OCC(Cc12)N(CCCc1c[nH]c2c(Cl)cccc12)C1CCC1
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| InChI |
InChI=1S/C25H27ClFN3O2/c26-21-8-2-7-18-15(13-29-23(18)21)4-3-11-30(16-5-1-6-16)17-12-20-19(25(28)31)9-10-22(27)24(20)32-14-17/h2,7-10,13,16-17,29H,1,3-6,11-12,14H2,(H2,28,31)
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| InChIKey |
FMNSGIWMBXUZFQ-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