General Information of the Compound
| Compound ID |
CP0926220
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| Compound Name |
2-[5-chloro-2-[[(1S)-1-(5-fluoropyridin-2-yl)ethyl]amino]-6-[(3-propan-2-yloxy-1H-pyrazol-5-yl)amino]pyrimidin-4-yl]oxypropane-1,3-diol
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| Structure |
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| Formula |
C20H25ClFN7O4
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| Molecular Weight |
481.916
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| Canonical SMILES |
CC(C)Oc1cc(Nc2nc(N[C@@H](C)c3ccc(F)cn3)nc(OC(CO)CO)c2Cl)n[nH]1
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| InChI |
InChI=1S/C20H25ClFN7O4/c1-10(2)32-16-6-15(28-29-16)25-18-17(21)19(33-13(8-30)9-31)27-20(26-18)24-11(3)14-5-4-12(22)7-23-14/h4-7,10-11,13,30-31H,8-9H2,1-3H3,(H3,24,25,26,27,28,29)/t11-/m0/s1
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| InChIKey |
CZCROGVITASFKE-NSHDSACASA-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