General Information of the Compound
| Compound ID |
CP0401383
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| Compound Name |
3-{(Cyclopropylmethyl)[4-(6-fluoro-1H-indol-1-yl)butyl]amino}-8-fluorochromane-5-carboxamide
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| Structure |
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| Formula |
C26H29F2N3O2
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| Molecular Weight |
453.533
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| Canonical SMILES |
NC(=O)c1ccc(F)c2OCC(Cc12)N(CCCCn1ccc2ccc(F)cc12)CC1CC1
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| InChI |
InChI=1S/C26H29F2N3O2/c27-19-6-5-18-9-12-30(24(18)13-19)10-1-2-11-31(15-17-3-4-17)20-14-22-21(26(29)32)7-8-23(28)25(22)33-16-20/h5-9,12-13,17,20H,1-4,10-11,14-16H2,(H2,29,32)
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| InChIKey |
RTBRYAGVXCGXOY-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