General Information of the Compound
| Compound ID |
CP0519117
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| Compound Name |
US9221831, 80
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| Structure |
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| Formula |
C31H44N2O5
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| Molecular Weight |
524.702
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| Canonical SMILES |
CC[C@H](C)[C@H](N)C(=O)OC[C@H]1C[C@]23CC[C@]1(OC)[C@@H]1Oc4c5c(C[C@H]2N(CC2CC2)CC[C@@]315)ccc4OC
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| InChI |
InChI=1S/C31H44N2O5/c1-5-18(2)25(32)27(34)37-17-21-15-29-10-11-31(21,36-4)28-30(29)12-13-33(16-19-6-7-19)23(29)14-20-8-9-22(35-3)26(38-28)24(20)30/h8-9,18-19,21,23,25,28H,5-7,10-17,32H2,1-4H3/t18-,21+,23+,25-,28+,29+,30-,31+/m0/s1
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| InChIKey |
RIDXTKXFCMVGKG-ZCFIQQTOSA-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