General Information of the Compound
| Compound ID |
CP0495962
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| Compound Name |
6-chloro-N-[(3R)-3-[4-[4-methoxy-N-[(4-methylpyridin-3-yl)methyl]anilino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide
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| Structure |
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| Formula |
C30H38ClN5O2
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| Molecular Weight |
536.12
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| Canonical SMILES |
COc1ccc(cc1)N(Cc1cnccc1C)C1CCN(CC1)[C@H](C)CCNC(=O)c1cnc(Cl)cc1C
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| InChI |
InChI=1S/C30H38ClN5O2/c1-21-9-13-32-18-24(21)20-36(25-5-7-27(38-4)8-6-25)26-11-15-35(16-12-26)23(3)10-14-33-30(37)28-19-34-29(31)17-22(28)2/h5-9,13,17-19,23,26H,10-12,14-16,20H2,1-4H3,(H,33,37)/t23-/m1/s1
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| InChIKey |
KONUPWFAXUVZPY-HSZRJFAPSA-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