General Information of the Compound
| Compound ID |
CP0496262
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| Compound Name |
[(3S)-6-chloro-1-[4-(2-methylphenyl)piperazine-1-carbonyl]-3,4-dihydro-2H-quinolin-3-yl]-pyrrolidin-1-ylmethanone
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| Formula |
C26H31ClN4O2
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| Molecular Weight |
467.013
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| Canonical SMILES |
Cc1ccccc1N1CCN(CC1)C(=O)N1C[C@H](Cc2cc(Cl)ccc12)C(=O)N1CCCC1
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| InChI |
InChI=1S/C26H31ClN4O2/c1-19-6-2-3-7-23(19)28-12-14-30(15-13-28)26(33)31-18-21(25(32)29-10-4-5-11-29)16-20-17-22(27)8-9-24(20)31/h2-3,6-9,17,21H,4-5,10-16,18H2,1H3/t21-/m0/s1
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| InChIKey |
WHFQNYFSMHRFHY-NRFANRHFSA-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