General Information of the Compound
| Compound ID |
CP0399417
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| Compound Name |
(4-chloro-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone
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| Structure |
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| Formula |
C14H16ClN3O
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| Molecular Weight |
277.755
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| Canonical SMILES |
CN1CCN(CC1)C(=O)c1cc2c(Cl)cccc2[nH]1
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| InChI |
InChI=1S/C14H16ClN3O/c1-17-5-7-18(8-6-17)14(19)13-9-10-11(15)3-2-4-12(10)16-13/h2-4,9,16H,5-8H2,1H3
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| InChIKey |
YAMYNVHPUKPXBR-UHFFFAOYSA-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