General Information of the Compound
| Compound ID |
CP0578133
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| Compound Name |
US8969358, 105
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| Structure |
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| Formula |
C30H43N3O4
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| Molecular Weight |
509.691
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| Canonical SMILES |
CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)[C@@H](N)CC(C)C)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45
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| InChI |
InChI=1S/C30H43N3O4/c1-17(2)12-21(31)26(35)32-15-20-14-28-8-9-30(20,36-3)27-29(28)10-11-33(16-18-4-5-18)23(28)13-19-6-7-22(34)25(37-27)24(19)29/h6-7,17-18,20-21,23,27,34H,4-5,8-16,31H2,1-3H3,(H,32,35)/t20-,21+,23-,27-,28-,29+,30-/m1/s1
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| InChIKey |
DWFNYQNOFWYTOA-YRUBBQLKSA-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