General Information of the Compound
| Compound ID |
CP0850397
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| Compound Name |
N-(4-chloro-3-(((2S)-1-methyl-2-pyrrolidinyl)methoxy)phenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)-1,3-benzoxazol-2-amine
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| Structure |
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| Formula |
C26H24ClN5O3
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| Molecular Weight |
489.963
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| Canonical SMILES |
CN1CCC[C@@H]1COc1cc(Nc2nc3cc(Oc4ccnc5[nH]ccc45)ccc3o2)ccc1Cl
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| InChI |
InChI=1S/C26H24ClN5O3/c1-32-12-2-3-17(32)15-33-24-13-16(4-6-20(24)27)30-26-31-21-14-18(5-7-23(21)35-26)34-22-9-11-29-25-19(22)8-10-28-25/h4-11,13-14,17H,2-3,12,15H2,1H3,(H,28,29)(H,30,31)/t17-/m1/s1
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| InChIKey |
BIJITFOSDDPLRR-QGZVFWFLSA-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