General Information of the Compound
| Compound ID |
CP0513353
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| Compound Name |
US9333195, 99
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| Structure |
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| Formula |
C30H30NO3+
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| Molecular Weight |
452.574
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| Canonical SMILES |
OC1(C(=O)O[C@H]2C[N+]3(C\C=C\c4ccccc4)CCC2CC3)c2ccccc2-c2ccccc12
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| InChI |
InChI=1S/C30H30NO3/c32-29(30(33)26-14-6-4-12-24(26)25-13-5-7-15-27(25)30)34-28-21-31(19-16-23(28)17-20-31)18-8-11-22-9-2-1-3-10-22/h1-15,23,28,33H,16-21H2/q+1/b11-8+/t23?,28-,31?/m0/s1
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| InChIKey |
NQWWNHNIWWQZET-DAXGAKLFSA-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