General Information of the Compound
| Compound ID |
CP0402716
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| Compound Name |
US9315514, 7
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| Structure |
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| Formula |
C36H45NO4
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| Molecular Weight |
555.759
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| Canonical SMILES |
CC(C)(C)[C@@]1(C)OCO[C@]23CC[C@@]4(C[C@H]12)[C@H]1Cc2ccc(OCc5ccccc5)c5O[C@@H]3[C@]4(CCN1CC1CC1)c25
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| InChI |
InChI=1S/C36H45NO4/c1-32(2,3)33(4)27-19-34-14-15-36(27,40-22-39-33)31-35(34)16-17-37(20-23-10-11-23)28(34)18-25-12-13-26(30(41-31)29(25)35)38-21-24-8-6-5-7-9-24/h5-9,12-13,23,27-28,31H,10-11,14-22H2,1-4H3/t27-,28-,31-,33+,34-,35+,36-/m1/s1
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| InChIKey |
GMWKLQVLCZTICI-BHPNABNESA-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