General Information of the Compound
| Compound ID |
CP0402494
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| Compound Name |
1-Butyl-1-[4'-((2S,5S)-4-hexyl-1,5-dimethyl-3,6-dioxo-piperazin-2-ylmethyl)-biphenyl-3-ylmethyl]-3-methyl-urea
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| Structure |
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| Formula |
C32H46N4O3
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| Molecular Weight |
534.745
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| Canonical SMILES |
CCCCCCN1[C@@H](C)C(=O)N(C)[C@@H](Cc2ccc(cc2)-c2cccc(CN(CCCC)C(=O)NC)c2)C1=O
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| InChI |
InChI=1S/C32H46N4O3/c1-6-8-10-11-20-36-24(3)30(37)34(5)29(31(36)38)22-25-15-17-27(18-16-25)28-14-12-13-26(21-28)23-35(19-9-7-2)32(39)33-4/h12-18,21,24,29H,6-11,19-20,22-23H2,1-5H3,(H,33,39)/t24-,29-/m0/s1
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| InChIKey |
LTPNZUAMKQUIHB-OUTSHDOLSA-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