General Information of the Compound
| Compound ID |
CP0369261
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| Compound Name |
N-[1-[(1S)-1-(3-fluorophenyl)ethyl]indazol-5-yl]-5-[[(2S)-morpholin-2-yl]methoxymethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
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| Structure |
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| Formula |
C27H28FN7O2
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| Molecular Weight |
501.566
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| Canonical SMILES |
C[C@@H](c1cccc(F)c1)n1ncc2cc(Nc3ncnn4ccc(COC[C@@H]5CNCCO5)c34)ccc12
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| InChI |
InChI=1S/C27H28FN7O2/c1-18(19-3-2-4-22(28)11-19)35-25-6-5-23(12-21(25)13-31-35)33-27-26-20(7-9-34(26)32-17-30-27)15-36-16-24-14-29-8-10-37-24/h2-7,9,11-13,17-18,24,29H,8,10,14-16H2,1H3,(H,30,32,33)/t18-,24-/m0/s1
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| InChIKey |
SGYAQGSCPQGXLC-UUOWRZLLSA-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