General Information of the Compound
| Compound ID |
CP0378443
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| Compound Name |
(4-(2-((S)-1-amino-2-methylpropyl)-6-fluorophenyl)piperazin-1-yl)((3S,4R)-4-(4-chlorophenyl)-1-isopropylpyrrolidin-3-yl)methanone
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| Structure |
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| Formula |
C28H38ClFN4O
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| Molecular Weight |
501.09
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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)C(C)C
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| InChI |
InChI=1S/C28H38ClFN4O/c1-18(2)26(31)22-6-5-7-25(30)27(22)32-12-14-33(15-13-32)28(35)24-17-34(19(3)4)16-23(24)20-8-10-21(29)11-9-20/h5-11,18-19,23-24,26H,12-17,31H2,1-4H3/t23-,24+,26-/m0/s1
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| InChIKey |
KBCSJIBLEYAWLZ-GSLIJJQTSA-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