General Information of the Compound
| Compound ID |
CP0338509
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| Compound Name |
N-(3-chloro-4-fluorophenyl)-4-[[(3S)-1-cyclopropylpiperidin-3-yl]methyl]piperazine-1-carboxamide
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| Structure |
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| Formula |
C20H28ClFN4O
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| Molecular Weight |
394.922
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| Canonical SMILES |
Fc1ccc(NC(=O)N2CCN(C[C@@H]3CCCN(C3)C3CC3)CC2)cc1Cl
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| InChI |
InChI=1S/C20H28ClFN4O/c21-18-12-16(3-6-19(18)22)23-20(27)25-10-8-24(9-11-25)13-15-2-1-7-26(14-15)17-4-5-17/h3,6,12,15,17H,1-2,4-5,7-11,13-14H2,(H,23,27)/t15-/m0/s1
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| InChIKey |
HTDQROHVXBFUTQ-HNNXBMFYSA-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