General Information of the Compound
| Compound ID |
CP0234018
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| Compound Name |
4-Chloro-N-(4-chlorobenzoyl)-N-(2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl)benzamide, 82
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| Structure |
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| Formula |
C29H28Cl2N4O3
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| Molecular Weight |
551.474
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| Canonical SMILES |
Clc1ccc(cc1)C(=O)N(CCN1CCC2(CC1)N(CNC2=O)c1ccccc1)C(=O)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C29H28Cl2N4O3/c30-23-10-6-21(7-11-23)26(36)34(27(37)22-8-12-24(31)13-9-22)19-18-33-16-14-29(15-17-33)28(38)32-20-35(29)25-4-2-1-3-5-25/h1-13H,14-20H2,(H,32,38)
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| InChIKey |
KIOMHAPZIAUVSW-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