General Information of the Compound
| Compound ID |
CP0538858
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| Compound Name |
2-(3-fluorophenyl)-4-[[(3S)-piperidin-3-yl]amino]-1H-indole-7-carboxamide
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| Structure |
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| Formula |
C20H21FN4O
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| Molecular Weight |
352.413
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| Canonical SMILES |
NC(=O)c1ccc(N[C@H]2CCCNC2)c2cc([nH]c12)-c1cccc(F)c1
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| InChI |
InChI=1S/C20H21FN4O/c21-13-4-1-3-12(9-13)18-10-16-17(24-14-5-2-8-23-11-14)7-6-15(20(22)26)19(16)25-18/h1,3-4,6-7,9-10,14,23-25H,2,5,8,11H2,(H2,22,26)/t14-/m0/s1
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| InChIKey |
KCXSHSRRSKFOQP-AWEZNQCLSA-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
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2
Protein ID: PT00865, Serine/threonine-protein kinase Chk1