General Information of the Compound
| Compound ID |
CP0484592
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| Compound Name |
1-{2-[(1S)-(3-Dimethylaminopropionyl) amino-2-methylpropyl]phenyl}-4-[(2R)-methyl-3-(4-chlorophenyl)propionyl]piperazine
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| Structure |
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| Formula |
C29H41ClN4O2
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| Molecular Weight |
513.126
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| Canonical SMILES |
CC(C)[C@H](NC(=O)CCN(C)C)c1ccccc1N1CCN(CC1)C(=O)[C@H](C)Cc1ccc(Cl)cc1
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| InChI |
InChI=1S/C29H41ClN4O2/c1-21(2)28(31-27(35)14-15-32(4)5)25-8-6-7-9-26(25)33-16-18-34(19-17-33)29(36)22(3)20-23-10-12-24(30)13-11-23/h6-13,21-22,28H,14-20H2,1-5H3,(H,31,35)/t22-,28+/m1/s1
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| InChIKey |
UEEPYVNQGOAEPV-DFHRPNOPSA-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