General Information of the Compound
| Compound ID |
CP0449031
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| Compound Name |
(4-(2-((S)-1-amino-2-methylpropyl)-6-fluorophenyl)piperazin-1-yl)((3S,4R)-4-(4-chlorophenyl)-1-cyclopentylpyrrolidin-3-yl)methanone
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| Structure |
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| Formula |
C30H40ClFN4O
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| Molecular Weight |
527.128
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| Canonical SMILES |
CC(C)[C@H](N)c1cccc(F)c1N1CCN(CC1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C1CCCC1
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| InChI |
InChI=1S/C30H40ClFN4O/c1-20(2)28(33)24-8-5-9-27(32)29(24)34-14-16-35(17-15-34)30(37)26-19-36(23-6-3-4-7-23)18-25(26)21-10-12-22(31)13-11-21/h5,8-13,20,23,25-26,28H,3-4,6-7,14-19,33H2,1-2H3/t25-,26+,28-/m0/s1
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| InChIKey |
DYZKLCKHTWVRLI-REUBFRLUSA-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