General Information of the Compound
| Compound ID |
CP0489247
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| Compound Name |
(5-chloro-1H-indol-2-yl)-(1,4-diazepan-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 |
Clc1ccc2[nH]c(cc2c1)C(=O)N1CCCNCC1
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| InChI |
InChI=1S/C14H16ClN3O/c15-11-2-3-12-10(8-11)9-13(17-12)14(19)18-6-1-4-16-5-7-18/h2-3,8-9,16-17H,1,4-7H2
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| InChIKey |
VVSODWCZWFMKJG-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