General Information of the Compound
| Compound ID |
CP0486265
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| Compound Name |
(E)-3-[4-chloro-2-[(5-methyltetrazol-2-yl)methyl]phenyl]-1-[(2R)-2-methylpiperazin-1-yl]prop-2-en-1-one
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| Structure |
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| Formula |
C17H21ClN6O
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| Molecular Weight |
360.849
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| Canonical SMILES |
C[C@@H]1CNCCN1C(=O)\C=C\c1ccc(Cl)cc1Cn1nnc(C)n1
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| InChI |
InChI=1S/C17H21ClN6O/c1-12-10-19-7-8-23(12)17(25)6-4-14-3-5-16(18)9-15(14)11-24-21-13(2)20-22-24/h3-6,9,12,19H,7-8,10-11H2,1-2H3/b6-4+/t12-/m1/s1
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| InChIKey |
BVDPWLLSIMCFHH-FVOPLDGLSA-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