General Information of the Compound
| Compound ID |
CP0379001
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| Compound Name |
(4-(2-((S)-1-amino-2-methylpropyl)-6-fluorophenyl)piperazin-1-yl)((3S,4R)-4-(4-chlorophenyl)-1-isobutylpyrrolidin-3-yl)methanone
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| Structure |
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| Formula |
C29H40ClFN4O
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| Molecular Weight |
515.117
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| Canonical SMILES |
CC(C)CN1C[C@H]([C@@H](C1)c1ccc(Cl)cc1)C(=O)N1CCN(CC1)c1c(F)cccc1[C@@H](N)C(C)C
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| InChI |
InChI=1S/C29H40ClFN4O/c1-19(2)16-33-17-24(21-8-10-22(30)11-9-21)25(18-33)29(36)35-14-12-34(13-15-35)28-23(27(32)20(3)4)6-5-7-26(28)31/h5-11,19-20,24-25,27H,12-18,32H2,1-4H3/t24-,25+,27-/m0/s1
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| InChIKey |
AAQQSWWMBVNKIB-WEWMWRJBSA-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