General Information of the Compound
| Compound ID |
CP0213531
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| Compound Name |
(S)-4-(4-{2-[1-(Acetyl-ethyl-amino)-ethyl]-phenyl}-piperazin-1-yl)-3-(4-chloro-benzyl)-N-cyclobutyl-4-oxo-butyramide
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| Structure |
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| Formula |
C31H41ClN4O3
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| Molecular Weight |
553.147
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| Canonical SMILES |
CCN(C(C)c1ccccc1N1CCN(CC1)C(=O)[C@H](CC(=O)NC1CCC1)Cc1ccc(Cl)cc1)C(C)=O
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| InChI |
InChI=1S/C31H41ClN4O3/c1-4-36(23(3)37)22(2)28-10-5-6-11-29(28)34-16-18-35(19-17-34)31(39)25(20-24-12-14-26(32)15-13-24)21-30(38)33-27-8-7-9-27/h5-6,10-15,22,25,27H,4,7-9,16-21H2,1-3H3,(H,33,38)/t22?,25-/m0/s1
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| InChIKey |
PIOINJDBOJEISJ-TUXUZCGSSA-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