General Information of the Compound
| Compound ID |
CP0416572
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| Compound Name |
N-(3-chlorophenyl)-4-[[(3S)-1-cyclopropylpiperidin-3-yl]methyl]piperazine-1-carboxamide
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| Structure |
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| Formula |
C20H29ClN4O
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| Molecular Weight |
376.932
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| Canonical SMILES |
Clc1cccc(NC(=O)N2CCN(C[C@@H]3CCCN(C3)C3CC3)CC2)c1
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| InChI |
InChI=1S/C20H29ClN4O/c21-17-4-1-5-18(13-17)22-20(26)24-11-9-23(10-12-24)14-16-3-2-8-25(15-16)19-6-7-19/h1,4-5,13,16,19H,2-3,6-12,14-15H2,(H,22,26)/t16-/m0/s1
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| InChIKey |
XOFURTMJFUZZKK-INIZCTEOSA-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