General Information of the Compound
| Compound ID |
CP0401319
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| Compound Name |
1-{1-[2-((S)-2-Methoxymethyl-pyrrolidin-1-yl)-ethyl]-1H-indazol-5-yl}-3-(4-phenoxy-phenyl)-urea
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| Structure |
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| Formula |
C28H31N5O3
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| Molecular Weight |
485.588
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| Canonical SMILES |
COC[C@@H]1CCCN1CCn1ncc2cc(NC(=O)Nc3ccc(Oc4ccccc4)cc3)ccc12
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| InChI |
InChI=1S/C28H31N5O3/c1-35-20-24-6-5-15-32(24)16-17-33-27-14-11-23(18-21(27)19-29-33)31-28(34)30-22-9-12-26(13-10-22)36-25-7-3-2-4-8-25/h2-4,7-14,18-19,24H,5-6,15-17,20H2,1H3,(H2,30,31,34)/t24-/m0/s1
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| InChIKey |
XQPIUMZQPPLXSB-DEOSSOPVSA-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