General Information of the Compound
| Compound ID |
CP0899389
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| Compound Name |
US9096606, 13
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| Structure |
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| Formula |
C37H44NO4+
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| Molecular Weight |
566.762
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| Canonical SMILES |
COc1ccc2c3c1O[C@H]1[C@@]4(OC)CC[C@@]5(C[C@@H]4COCc4ccc6ccccc6c4)[C@@H](C2)[N+](C)(CC2CC2)CC[C@]315
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| InChI |
InChI=1S/C37H44NO4/c1-38(21-24-8-9-24)17-16-36-32-28-12-13-30(39-2)33(32)42-34(36)37(40-3)15-14-35(36,31(38)19-28)20-29(37)23-41-22-25-10-11-26-6-4-5-7-27(26)18-25/h4-7,10-13,18,24,29,31,34H,8-9,14-17,19-23H2,1-3H3/q+1/t29-,31-,34-,35-,36+,37-,38?/m1/s1
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| InChIKey |
PQFGWRPKZALKDT-VMTLCCFFSA-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