General Information of the Compound
| Compound ID |
CP0410941
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| Compound Name |
[4-[4-(4-benzylpiperidin-1-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone
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| Structure |
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| Formula |
C30H33FN4O2
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| Molecular Weight |
500.618
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| Canonical SMILES |
Fc1ccc2ncc(C(=O)N3CCN(CC3)C(=O)C3CC3)c(N3CCC(Cc4ccccc4)CC3)c2c1
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| InChI |
InChI=1S/C30H33FN4O2/c31-24-8-9-27-25(19-24)28(33-12-10-22(11-13-33)18-21-4-2-1-3-5-21)26(20-32-27)30(37)35-16-14-34(15-17-35)29(36)23-6-7-23/h1-5,8-9,19-20,22-23H,6-7,10-18H2
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| InChIKey |
HNYMSNLTGLZUSF-UHFFFAOYSA-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