General Information of the Compound
| Compound ID |
CP0515293
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| Compound Name |
(3S)-3-({5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl}amino)-3-(4-fluorophenyl)-N,N-dimethylpropanamide
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| Structure |
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| Formula |
C21H23ClFN7O
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| Molecular Weight |
443.914
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| Canonical SMILES |
CN(C)C(=O)C[C@H](Nc1ncc(Cl)c(Nc2cc(n[nH]2)C2CC2)n1)c1ccc(F)cc1
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| InChI |
InChI=1S/C21H23ClFN7O/c1-30(2)19(31)10-16(12-5-7-14(23)8-6-12)25-21-24-11-15(22)20(27-21)26-18-9-17(28-29-18)13-3-4-13/h5-9,11,13,16H,3-4,10H2,1-2H3,(H3,24,25,26,27,28,29)/t16-/m0/s1
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| InChIKey |
HRMCEFNIUDHQEI-INIZCTEOSA-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