General Information of the Compound
| Compound ID |
CP0499962
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| Compound Name |
1-[4-[(2S)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-hydroxypropyl]phenyl]-3-phenylurea
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| Structure |
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| Formula |
C24H26ClN3O3
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| Molecular Weight |
439.943
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| Canonical SMILES |
OC[C@H](Cc1ccc(NC(=O)Nc2ccccc2)cc1)NC[C@H](O)c1cccc(Cl)c1
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| InChI |
InChI=1S/C24H26ClN3O3/c25-19-6-4-5-18(14-19)23(30)15-26-22(16-29)13-17-9-11-21(12-10-17)28-24(31)27-20-7-2-1-3-8-20/h1-12,14,22-23,26,29-30H,13,15-16H2,(H2,27,28,31)/t22-,23-/m0/s1
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| InChIKey |
IKGFEVVBVXQESS-GOTSBHOMSA-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