General Information of the Compound
| Compound ID |
CP0476257
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| Compound Name |
3,5-dichloro-N-[3-[4-[N-[(3-cyanophenyl)methyl]-4-(trifluoromethyl)anilino]piperidin-1-yl]butyl]pyridine-4-carboxamide
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| Structure |
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| Formula |
C30H30Cl2F3N5O
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| Molecular Weight |
604.504
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| Canonical SMILES |
CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(CC1)N(Cc1cccc(c1)C#N)c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C30H30Cl2F3N5O/c1-20(9-12-38-29(41)28-26(31)17-37-18-27(28)32)39-13-10-25(11-14-39)40(19-22-4-2-3-21(15-22)16-36)24-7-5-23(6-8-24)30(33,34)35/h2-8,15,17-18,20,25H,9-14,19H2,1H3,(H,38,41)
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| InChIKey |
IJASZWIFKOZCKV-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