General Information of the Compound
| Compound ID |
CP0394623
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| Compound Name |
N-(cyclopropylmethyl)-N-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-methoxy-3,4-dihydro-2H-chromen-3-amine
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| Structure |
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| Formula |
C25H29FN2O2
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| Molecular Weight |
408.517
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| Canonical SMILES |
COc1cccc2OCC(Cc12)N(CCCc1c[nH]c2ccc(F)cc12)CC1CC1
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| InChI |
InChI=1S/C25H29FN2O2/c1-29-24-5-2-6-25-22(24)13-20(16-30-25)28(15-17-7-8-17)11-3-4-18-14-27-23-10-9-19(26)12-21(18)23/h2,5-6,9-10,12,14,17,20,27H,3-4,7-8,11,13,15-16H2,1H3
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| InChIKey |
BKJSIAOCAXHNFA-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