General Information of the Compound
| Compound ID |
CP0311092
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| Compound Name |
3-[4-[(2S)-2-[(4-chlorophenyl)methyl]-4-methylpiperazin-1-yl]piperidin-1-yl]-1H-1,2,4-triazol-5-amine
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| Structure |
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| Formula |
C19H28ClN7
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| Molecular Weight |
389.935
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| Canonical SMILES |
CN1CCN([C@@H](Cc2ccc(Cl)cc2)C1)C1CCN(CC1)c1n[nH]c(N)n1
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| InChI |
InChI=1S/C19H28ClN7/c1-25-10-11-27(17(13-25)12-14-2-4-15(20)5-3-14)16-6-8-26(9-7-16)19-22-18(21)23-24-19/h2-5,16-17H,6-13H2,1H3,(H3,21,22,23,24)/t17-/m0/s1
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| InChIKey |
BYCLUAVYESDINX-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
Protein ID: PT01834, Acidic mammalian chitinase
Protein ID: PT04304, Acidic mammalian chitinase
Protein ID: PT04299, Chitotriosidase-1
Protein ID: PT04882, Chitotriosidase-1