General Information of the Compound
| Compound ID |
CP0435596
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| Compound Name |
2-methyl-N-{4-methyl-3-[1-(3-{[(2R)-2-phenylpropanoyl]-amino}propyl)-4-piperidinyl]phenyl}propanamide
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| Structure |
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| Formula |
C28H39N3O2
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| Molecular Weight |
449.639
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| Canonical SMILES |
CC(C)C(=O)Nc1ccc(C)c(c1)C1CCN(CCCNC(=O)[C@@H](C)c2ccccc2)CC1
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| InChI |
InChI=1S/C28H39N3O2/c1-20(2)27(32)30-25-12-11-21(3)26(19-25)24-13-17-31(18-14-24)16-8-15-29-28(33)22(4)23-9-6-5-7-10-23/h5-7,9-12,19-20,22,24H,8,13-18H2,1-4H3,(H,29,33)(H,30,32)/t22-/m0/s1
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| InChIKey |
NJJVZQKTUZLDJG-QFIPXVFZSA-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