General Information of the Compound
| Compound ID |
CP0357802
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| Compound Name |
5-(((S)-morpholin-2-ylmethoxy)methyl)-N-(1-((R)-1-phenylethyl)-1H-indazol-5-yl)pyrrolo[1,2-f][1,2,4]triazin-4-amine
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| Structure |
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| Formula |
C27H29N7O2
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| Molecular Weight |
483.576
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| Canonical SMILES |
C[C@H](c1ccccc1)n1ncc2cc(Nc3ncnn4ccc(COC[C@@H]5CNCCO5)c34)ccc12
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| InChI |
InChI=1S/C27H29N7O2/c1-19(20-5-3-2-4-6-20)34-25-8-7-23(13-22(25)14-30-34)32-27-26-21(9-11-33(26)31-18-29-27)16-35-17-24-15-28-10-12-36-24/h2-9,11,13-14,18-19,24,28H,10,12,15-17H2,1H3,(H,29,31,32)/t19-,24+/m1/s1
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| InChIKey |
CJHNARCORXPMOD-DVECYGJZSA-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