General Information of the Compound
| Compound ID |
CP0253282
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| Compound Name |
ethyl N-[2-[(R)-[4-(diethylcarbamoyl)phenyl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]phenyl]carbamate
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| Structure |
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| Formula |
C31H39N5O3
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| Molecular Weight |
529.685
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| Canonical SMILES |
CCOC(=O)Nc1ccccc1[C@H](N1CCN(Cc2ccccn2)CC1)c1ccc(cc1)C(=O)N(CC)CC
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| InChI |
InChI=1S/C31H39N5O3/c1-4-35(5-2)30(37)25-16-14-24(15-17-25)29(27-12-7-8-13-28(27)33-31(38)39-6-3)36-21-19-34(20-22-36)23-26-11-9-10-18-32-26/h7-18,29H,4-6,19-23H2,1-3H3,(H,33,38)/t29-/m1/s1
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| InChIKey |
KNZOXZAJOJLVKT-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