General Information of the Compound
| Compound ID |
CP0440276
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| Compound Name |
1-{4-[4-(2-{4-[(R)-(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethoxy)phenyl]but-3-yn-1-yl}-1-hydroxyurea
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| Structure |
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| Formula |
C30H33ClN4O3
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| Molecular Weight |
533.072
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| Canonical SMILES |
NC(=O)N(O)CCC#Cc1ccc(OCCN2CCN(CC2)[C@H](c2ccccc2)c2ccc(Cl)cc2)cc1
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| InChI |
InChI=1S/C30H33ClN4O3/c31-27-13-11-26(12-14-27)29(25-7-2-1-3-8-25)34-20-18-33(19-21-34)22-23-38-28-15-9-24(10-16-28)6-4-5-17-35(37)30(32)36/h1-3,7-16,29,37H,5,17-23H2,(H2,32,36)/t29-/m1/s1
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| InChIKey |
DGLAILDSPYOZLT-GDLZYMKVSA-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