General Information of the Compound
| Compound ID |
CP0476809
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| Compound Name |
1-[3-[2-[(2S)-2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]propyl]-3-[3-(2-methoxyphenyl)propyl]urea
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| Structure |
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| Formula |
C26H39N3O4
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| Molecular Weight |
457.615
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| Canonical SMILES |
COc1ccccc1CCCNC(=O)NCCCc1ccccc1OC[C@@H](O)CNC(C)C
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| InChI |
InChI=1S/C26H39N3O4/c1-20(2)29-18-23(30)19-33-25-15-7-5-11-22(25)13-9-17-28-26(31)27-16-8-12-21-10-4-6-14-24(21)32-3/h4-7,10-11,14-15,20,23,29-30H,8-9,12-13,16-19H2,1-3H3,(H2,27,28,31)/t23-/m0/s1
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| InChIKey |
KCPNFSARVCLOHZ-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