General Information of the Compound
| Compound ID |
CP0563216
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| Compound Name |
US8969358, 123
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| Structure |
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| Formula |
C33H39N3O4
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| Molecular Weight |
541.692
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| Canonical SMILES |
CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)C1=CNC4C=CC=CC14)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45
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| InChI |
InChI=1S/C33H39N3O4/c1-39-33-11-10-31(15-21(33)16-35-29(38)23-17-34-24-5-3-2-4-22(23)24)26-14-20-8-9-25(37)28-27(20)32(31,30(33)40-28)12-13-36(26)18-19-6-7-19/h2-5,8-9,17,19,21-22,24,26,30,34,37H,6-7,10-16,18H2,1H3,(H,35,38)/t21-,22?,24?,26-,30-,31-,32+,33-/m1/s1
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| InChIKey |
VXGJXKQHRSPOES-IQXGCWOGSA-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