General Information of the Compound
| Compound ID |
CP0541993
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| Compound Name |
US8969358, 115
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| Structure |
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| Formula |
C31H41N3O5
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| Molecular Weight |
535.685
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| Canonical SMILES |
CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)[C@@H]1CCCN1C(C)=O)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45
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| InChI |
InChI=1S/C31H41N3O5/c1-18(35)34-12-3-4-22(34)27(37)32-16-21-15-29-9-10-31(21,38-2)28-30(29)11-13-33(17-19-5-6-19)24(29)14-20-7-8-23(36)26(39-28)25(20)30/h7-8,19,21-22,24,28,36H,3-6,9-17H2,1-2H3,(H,32,37)/t21-,22+,24-,28-,29-,30+,31-/m1/s1
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| InChIKey |
JMXGMJXNOBOTHI-UAJHMDHNSA-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