General Information of the Compound
| Compound ID |
CP0369257
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| Compound Name |
(S)-N-(1-(3-fluorobenzyl)-1H-indazol-5-yl)-5-((piperidin-3-ylmethoxy)methyl)pyrrolo[1,2-f][1,2,4]triazin-4-amine
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| Structure |
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| Formula |
C27H28FN7O
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| Molecular Weight |
485.567
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| Canonical SMILES |
Fc1cccc(Cn2ncc3cc(Nc4ncnn5ccc(COC[C@H]6CCCNC6)c45)ccc23)c1
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| InChI |
InChI=1S/C27H28FN7O/c28-23-5-1-3-19(11-23)15-35-25-7-6-24(12-22(25)14-31-35)33-27-26-21(8-10-34(26)32-18-30-27)17-36-16-20-4-2-9-29-13-20/h1,3,5-8,10-12,14,18,20,29H,2,4,9,13,15-17H2,(H,30,32,33)/t20-/m0/s1
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| InChIKey |
APCFVCIEZAMJBU-FQEVSTJZSA-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