General Information of the Compound
| Compound ID |
CP0512154
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| Compound Name |
[(3S)-6-chloro-1-[4-(2-methylphenyl)piperazine-1-carbonyl]-3,4-dihydro-2H-quinolin-3-yl]-cyclopentylmethanone
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| Formula |
C27H32ClN3O2
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| Molecular Weight |
466.025
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| Canonical SMILES |
Cc1ccccc1N1CCN(CC1)C(=O)N1C[C@H](Cc2cc(Cl)ccc12)C(=O)C1CCCC1
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| InChI |
InChI=1S/C27H32ClN3O2/c1-19-6-2-5-9-24(19)29-12-14-30(15-13-29)27(33)31-18-22(26(32)20-7-3-4-8-20)16-21-17-23(28)10-11-25(21)31/h2,5-6,9-11,17,20,22H,3-4,7-8,12-16,18H2,1H3/t22-/m0/s1
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| InChIKey |
WJADXPRPSPYOJG-QFIPXVFZSA-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