General Information of the Compound
| Compound ID |
CP0316828
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| Compound Name |
[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]-(1H-pyrrolo[3,2-c]pyridin-4-yl)methanone
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| Structure |
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| Formula |
C22H18F2N4O2
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| Molecular Weight |
408.408
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| Canonical SMILES |
FC1(F)CCN(C[C@@H]1Oc1ccc2ccccc2n1)C(=O)c1nccc2[nH]ccc12
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| InChI |
InChI=1S/C22H18F2N4O2/c23-22(24)9-12-28(21(29)20-15-7-10-25-17(15)8-11-26-20)13-18(22)30-19-6-5-14-3-1-2-4-16(14)27-19/h1-8,10-11,18,25H,9,12-13H2/t18-/m0/s1
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| InChIKey |
GOISMCPNVMISAY-SFHVURJKSA-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