General Information of the Compound
| Compound ID |
CP0481238
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| Compound Name |
1-[3-(N-(1-acetylpiperidine-4-carbonyl)-3-chloroanilino)propyl]-N-[(4-cyanophenyl)methyl]piperidine-4-carboxamide
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| Structure |
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| Formula |
C31H38ClN5O3
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| Molecular Weight |
564.13
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| Canonical SMILES |
CC(=O)N1CCC(CC1)C(=O)N(CCCN1CCC(CC1)C(=O)NCc1ccc(cc1)C#N)c1cccc(Cl)c1
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| InChI |
InChI=1S/C31H38ClN5O3/c1-23(38)36-18-12-27(13-19-36)31(40)37(29-5-2-4-28(32)20-29)15-3-14-35-16-10-26(11-17-35)30(39)34-22-25-8-6-24(21-33)7-9-25/h2,4-9,20,26-27H,3,10-19,22H2,1H3,(H,34,39)
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| InChIKey |
HQPNHZUFLYUILD-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