General Information of the Compound
| Compound ID |
CP0911461
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| Compound Name |
4-(((5S,8R,11R)-5-cyclopropyl-7,8-dimethyl-6,9,12-trioxo-3,4,5,6,7,8,9,10,11,12,13,14,15,16-tetradecahydro-2H-benzo[q][1,4,7,10,13]oxatetraazacyclooctadecin-11-yl)methyl)benzonitrile
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| Structure |
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| Formula |
C30H37N5O4
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| Molecular Weight |
531.657
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| Canonical SMILES |
C[C@@H]1C(=O)N[C@H](Cc2ccc(C#N)cc2)C(=O)NCCCc2ccccc2OCCN[C@@H](C2CC2)C(=O)N1C
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| InChI |
InChI=1S/C30H37N5O4/c1-20-28(36)34-25(18-21-9-11-22(19-31)12-10-21)29(37)33-15-5-7-23-6-3-4-8-26(23)39-17-16-32-27(24-13-14-24)30(38)35(20)2/h3-4,6,8-12,20,24-25,27,32H,5,7,13-18H2,1-2H3,(H,33,37)(H,34,36)/t20-,25-,27+/m1/s1
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| InChIKey |
QMEXYOSOJBXQJT-WMBPSLEXSA-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