General Information of the Compound
| Compound ID |
CP0433075
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| Compound Name |
6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[N-[(4-methylpyridin-3-yl)methyl]-4-morpholin-4-ylanilino]piperidin-1-yl]butyl]pyridine-3-carboxamide
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| Structure |
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| Formula |
C34H45ClN6O2
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| Molecular Weight |
605.227
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| Canonical SMILES |
C[C@H](CCNC(=O)c1c(C)cc(Cl)nc1C)N1CCC(CC1)N(Cc1cnccc1C)c1ccc(cc1)N1CCOCC1
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| InChI |
InChI=1S/C34H45ClN6O2/c1-24-9-13-36-22-28(24)23-41(30-7-5-29(6-8-30)40-17-19-43-20-18-40)31-11-15-39(16-12-31)26(3)10-14-37-34(42)33-25(2)21-32(35)38-27(33)4/h5-9,13,21-22,26,31H,10-12,14-20,23H2,1-4H3,(H,37,42)/t26-/m1/s1
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| InChIKey |
QNNZRJMQKNQSSS-AREMUKBSSA-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