General Information of the Compound
| Compound ID |
CP0467823
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| Compound Name |
5-[[4-(aminomethyl)piperidin-1-yl]methyl]-N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
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| Structure |
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| Formula |
C27H29FN8
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| Molecular Weight |
484.583
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| Canonical SMILES |
NCC1CCN(Cc2ccn3ncnc(Nc4ccc5n(Cc6cccc(F)c6)ncc5c4)c23)CC1
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| InChI |
InChI=1S/C27H29FN8/c28-23-3-1-2-20(12-23)16-36-25-5-4-24(13-22(25)15-31-36)33-27-26-21(8-11-35(26)32-18-30-27)17-34-9-6-19(14-29)7-10-34/h1-5,8,11-13,15,18-19H,6-7,9-10,14,16-17,29H2,(H,30,32,33)
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| InChIKey |
PHYKCHVITBAQIF-UHFFFAOYSA-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