General Information of the Compound
| Compound ID |
CP0421099
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| Compound Name |
1-[3-(N-(1-acetylpiperidine-4-carbonyl)-3-chloroanilino)propyl]-N-[(4-cyanophenyl)methyl]-N-ethylpiperidine-4-carboxamide
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| Structure |
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| Formula |
C33H42ClN5O3
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| Molecular Weight |
592.184
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| Canonical SMILES |
CCN(Cc1ccc(cc1)C#N)C(=O)C1CCN(CCCN(C(=O)C2CCN(CC2)C(C)=O)c2cccc(Cl)c2)CC1
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| InChI |
InChI=1S/C33H42ClN5O3/c1-3-37(24-27-10-8-26(23-35)9-11-27)32(41)28-12-18-36(19-13-28)16-5-17-39(31-7-4-6-30(34)22-31)33(42)29-14-20-38(21-15-29)25(2)40/h4,6-11,22,28-29H,3,5,12-21,24H2,1-2H3
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| InChIKey |
KGPSWGYQYVBPIP-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