General Information of the Compound
| Compound ID |
CP0465766
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| Compound Name |
[(1S,2S,4R)-4-[[1-(2-bromophenyl)cyclobutyl]amino]-2-thiophen-3-ylcyclohexyl]-[4-(5-chloropyridin-2-yl)piperazin-1-yl]methanone
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| Structure |
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| Formula |
C30H34BrClN4OS
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| Molecular Weight |
614.053
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| Canonical SMILES |
Clc1ccc(nc1)N1CCN(CC1)C(=O)[C@H]1CC[C@H](C[C@@H]1c1ccsc1)NC1(CCC1)c1ccccc1Br
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| InChI |
InChI=1S/C30H34BrClN4OS/c31-27-5-2-1-4-26(27)30(11-3-12-30)34-23-7-8-24(25(18-23)21-10-17-38-20-21)29(37)36-15-13-35(14-16-36)28-9-6-22(32)19-33-28/h1-2,4-6,9-10,17,19-20,23-25,34H,3,7-8,11-16,18H2/t23-,24+,25-/m1/s1
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| InChIKey |
PVLWNYFCJZEJFC-DSNGMDLFSA-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