General Information of the Compound
| Compound ID |
CP0509743
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| Compound Name |
4-[[(3S)-1-cyclopropylpiperidin-3-yl]methyl]-N-(3-methylsulfonylphenyl)piperazine-1-carboxamide
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| Structure |
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| Formula |
C21H32N4O3S
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| Molecular Weight |
420.579
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| Canonical SMILES |
CS(=O)(=O)c1cccc(NC(=O)N2CCN(C[C@@H]3CCCN(C3)C3CC3)CC2)c1
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| InChI |
InChI=1S/C21H32N4O3S/c1-29(27,28)20-6-2-5-18(14-20)22-21(26)24-12-10-23(11-13-24)15-17-4-3-9-25(16-17)19-7-8-19/h2,5-6,14,17,19H,3-4,7-13,15-16H2,1H3,(H,22,26)/t17-/m0/s1
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| InChIKey |
ZKEJIXVSIPFVQF-KRWDZBQOSA-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