General Information of the Compound
| Compound ID |
CP0903124
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| Compound Name |
Benzyl N-(3-{[2-(1H-1,3-benzodiazol-2-yl)ethyl][2-(4-{[(3-fluoropyridin-2-yl)methyl]carbamoyl}-1,3-thiazol-2-yl)ethyl]amino}propyl)carbamate
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| Structure |
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| Formula |
C32H34FN7O3S
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| Molecular Weight |
615.735
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| Canonical SMILES |
O=C(NCCCN(CCc1nc2ccccc2[nH]1)CCc1nc(C(=O)NCc2ncccc2F)cs1)OCc1ccccc1
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| InChI |
InChI=1S/C32H34FN7O3S/c33-24-10-6-15-34-27(24)20-36-31(41)28-22-44-30(39-28)14-19-40(18-13-29-37-25-11-4-5-12-26(25)38-29)17-7-16-35-32(42)43-21-23-8-2-1-3-9-23/h1-6,8-12,15,22H,7,13-14,16-21H2,(H,35,42)(H,36,41)(H,37,38)
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| InChIKey |
GATRFXBGEXFVMC-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: PT06104, Solute carrier family 40 member 1
Protein ID: PT06354, Solute carrier family 40 member 1