General Information of the Compound
Compound ID |
CP0575555
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Compound Name |
US8969358, 137
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Structure |
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Formula |
C32H39N3O4
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Molecular Weight |
529.681
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Canonical SMILES |
COC12CC[C@@]3(C[C@@H]1CNC(=O)Nc1cccc(C)c1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45
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InChI |
InChI=1S/C32H39N3O4/c1-19-4-3-5-23(14-19)34-29(37)33-17-22-16-30-10-11-32(22,38-2)28-31(30)12-13-35(18-20-6-7-20)25(30)15-21-8-9-24(36)27(39-28)26(21)31/h3-5,8-9,14,20,22,25,28,36H,6-7,10-13,15-18H2,1-2H3,(H2,33,34,37)/t22-,25-,28-,30-,31+,32?/m1/s1
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InChIKey |
UQIPTTCXXGAVKF-ISGAVYOISA-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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