General Information of the Compound
| Compound ID |
CP0084996
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| Compound Name |
N-[(3R)-3-[4-[4-methoxy-N-(thiophen-3-ylmethyl)anilino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide
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| Structure |
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| Formula |
C28H37N5O2S
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| Molecular Weight |
507.704
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| Canonical SMILES |
COc1ccc(cc1)N(Cc1ccsc1)C1CCN(CC1)[C@H](C)CCNC(=O)c1c(C)ncnc1C
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| InChI |
InChI=1S/C28H37N5O2S/c1-20(9-13-29-28(34)27-21(2)30-19-31-22(27)3)32-14-10-25(11-15-32)33(17-23-12-16-36-18-23)24-5-7-26(35-4)8-6-24/h5-8,12,16,18-20,25H,9-11,13-15,17H2,1-4H3,(H,29,34)/t20-/m1/s1
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| InChIKey |
FGAWJCZNJAGAHI-HXUWFJFHSA-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