General Information of the Compound
| Compound ID |
CP0449451
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| Compound Name |
3-[cyclopropylmethyl-[2-(5-fluoro-1H-indol-3-yl)ethyl]amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide
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| Structure |
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| Formula |
C24H25F2N3O2
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| Molecular Weight |
425.479
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| Canonical SMILES |
NC(=O)c1ccc(F)c2OCC(Cc12)N(CCc1c[nH]c2ccc(F)cc12)CC1CC1
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| InChI |
InChI=1S/C24H25F2N3O2/c25-16-3-6-22-19(9-16)15(11-28-22)7-8-29(12-14-1-2-14)17-10-20-18(24(27)30)4-5-21(26)23(20)31-13-17/h3-6,9,11,14,17,28H,1-2,7-8,10,12-13H2,(H2,27,30)
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| InChIKey |
TWAQVUKMYNLEQM-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