General Information of the Compound
| Compound ID |
CP0470758
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| Compound Name |
(S)-4-Dipentylcarbamoyl-1-diphenylcarbamoyl-piperazine-2-carboxylic acid
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| Structure |
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| Formula |
C29H40N4O4
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| Molecular Weight |
508.663
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| Canonical SMILES |
CCCCCN(CCCCC)C(=O)N1CCN([C@@H](C1)C(O)=O)C(=O)N(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C29H40N4O4/c1-3-5-13-19-30(20-14-6-4-2)28(36)31-21-22-32(26(23-31)27(34)35)29(37)33(24-15-9-7-10-16-24)25-17-11-8-12-18-25/h7-12,15-18,26H,3-6,13-14,19-23H2,1-2H3,(H,34,35)/t26-/m0/s1
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| InChIKey |
OCZZSQRGBFEJLE-SANMLTNESA-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