General Information of the Compound
| Compound ID |
CP0508122
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| Compound Name |
1-[3-[2-[(2S)-2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]propyl]-3-propylurea
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| Structure |
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| Formula |
C19H33N3O3
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| Molecular Weight |
351.491
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| Canonical SMILES |
CCCNC(=O)NCCCc1ccccc1OC[C@@H](O)CNC(C)C
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| InChI |
InChI=1S/C19H33N3O3/c1-4-11-20-19(24)21-12-7-9-16-8-5-6-10-18(16)25-14-17(23)13-22-15(2)3/h5-6,8,10,15,17,22-23H,4,7,9,11-14H2,1-3H3,(H2,20,21,24)/t17-/m0/s1
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| InChIKey |
SYPCHPCCGRCVES-KRWDZBQOSA-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