General Information of the Compound
| Compound ID |
CP0433572
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| Compound Name |
[4-[4-[(3,4-dichlorophenyl)methyl]piperidin-1-yl]piperidin-1-yl]-(1H-indol-4-yl)methanone
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| Structure |
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| Formula |
C26H29Cl2N3O
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| Molecular Weight |
470.444
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| Canonical SMILES |
Clc1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2cccc3[nH]ccc23)cc1Cl
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| InChI |
InChI=1S/C26H29Cl2N3O/c27-23-5-4-19(17-24(23)28)16-18-7-12-30(13-8-18)20-9-14-31(15-10-20)26(32)22-2-1-3-25-21(22)6-11-29-25/h1-6,11,17-18,20,29H,7-10,12-16H2
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| InChIKey |
NGGMBNXWWMYHCB-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