General Information of the Compound
| Compound ID |
CP0327569
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| Compound Name |
1-[3-[7-methoxy-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
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| Structure |
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| Formula |
C26H32N6O3
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| Molecular Weight |
476.581
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| Canonical SMILES |
COc1cc2N(CCCc2cc1-c1cnn(C)c1)c1nn([C@H]2CCOC2)c2CCN(Cc12)C(C)=O
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| InChI |
InChI=1S/C26H32N6O3/c1-17(33)30-9-6-23-22(15-30)26(28-32(23)20-7-10-35-16-20)31-8-4-5-18-11-21(19-13-27-29(2)14-19)25(34-3)12-24(18)31/h11-14,20H,4-10,15-16H2,1-3H3/t20-/m0/s1
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| InChIKey |
CFPOFCVHWUBDFT-FQEVSTJZSA-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