General Information of the Compound
| Compound ID |
CP0508121
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| Compound Name |
1-[3-[2-[(2S)-2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]propyl]-3-(3-phenylpropyl)urea
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| Structure |
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| Formula |
C25H37N3O3
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| Molecular Weight |
427.589
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| Canonical SMILES |
CC(C)NC[C@H](O)COc1ccccc1CCCNC(=O)NCCCc1ccccc1
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| InChI |
InChI=1S/C25H37N3O3/c1-20(2)28-18-23(29)19-31-24-15-7-6-13-22(24)14-9-17-27-25(30)26-16-8-12-21-10-4-3-5-11-21/h3-7,10-11,13,15,20,23,28-29H,8-9,12,14,16-19H2,1-2H3,(H2,26,27,30)/t23-/m0/s1
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| InChIKey |
BTWGOXIYLXIMDN-QHCPKHFHSA-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