General Information of the Compound
| Compound ID |
CP0514439
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| Compound Name |
2-[[(2S)-4-(dipentylcarbamoyl)-1-(diphenylcarbamoyl)piperazine-2-carbonyl]amino]acetic acid
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| Structure |
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| Formula |
C31H43N5O5
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| Molecular Weight |
565.715
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| Canonical SMILES |
CCCCCN(CCCCC)C(=O)N1CCN([C@@H](C1)C(=O)NCC(O)=O)C(=O)N(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C31H43N5O5/c1-3-5-13-19-33(20-14-6-4-2)30(40)34-21-22-35(27(24-34)29(39)32-23-28(37)38)31(41)36(25-15-9-7-10-16-25)26-17-11-8-12-18-26/h7-12,15-18,27H,3-6,13-14,19-24H2,1-2H3,(H,32,39)(H,37,38)/t27-/m0/s1
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| InChIKey |
MSECWNMVFATCEZ-MHZLTWQESA-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