General Information of the Compound
| Compound ID |
CP0337092
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| Compound Name |
1-N-[(1S,2S)-1-[(2R)-4-[(2-cyanophenyl)methyl]piperazin-2-yl]-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
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| Structure |
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| Formula |
C36H43F2N5O3
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| Molecular Weight |
631.768
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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]1CN(Cc2ccccc2C#N)CCN1
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| InChI |
InChI=1S/C36H43F2N5O3/c1-4-11-43(12-5-2)36(46)29-15-24(3)14-28(19-29)35(45)41-32(18-25-16-30(37)20-31(38)17-25)34(44)33-23-42(13-10-40-33)22-27-9-7-6-8-26(27)21-39/h6-9,14-17,19-20,32-34,40,44H,4-5,10-13,18,22-23H2,1-3H3,(H,41,45)/t32-,33+,34-/m0/s1
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| InChIKey |
POYUANYEOGKNNG-GMTSZFNJSA-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