General Information of the Compound
| Compound ID |
CP0310998
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| Compound Name |
1-N-[(1R,2S)-3-(3,5-difluorophenyl)-1-[(2R,4S)-4-[2-(dimethylamino)ethoxy]piperidin-2-yl]-1-hydroxypropan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
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| Structure |
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| Formula |
C33H48F2N4O4
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| Molecular Weight |
602.767
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| Canonical SMILES |
CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CCN1)OCCN(C)C
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| InChI |
InChI=1S/C33H48F2N4O4/c1-6-10-39(11-7-2)33(42)25-15-22(3)14-24(19-25)32(41)37-30(18-23-16-26(34)20-27(35)17-23)31(40)29-21-28(8-9-36-29)43-13-12-38(4)5/h14-17,19-20,28-31,36,40H,6-13,18,21H2,1-5H3,(H,37,41)/t28-,29+,30-,31+/m0/s1
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| InChIKey |
KCPUSDLIDQXISF-XFBWMNOSSA-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