General Information of the Compound
| Compound ID |
CP0523334
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| Compound Name |
US9221831, 86
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| Structure |
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| Formula |
C27H36N2O5
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| Molecular Weight |
468.594
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| Canonical SMILES |
CO[C@]12CC[C@@]3(C[C@@H]1COC(=O)[C@H](C)N)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45
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| InChI |
InChI=1S/C27H36N2O5/c1-15(28)23(31)33-14-18-12-25-7-8-27(18,32-2)24-26(25)9-10-29(13-16-3-4-16)20(25)11-17-5-6-19(30)22(34-24)21(17)26/h5-6,15-16,18,20,24,30H,3-4,7-14,28H2,1-2H3/t15-,18+,20+,24+,25+,26-,27+/m0/s1
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| InChIKey |
UMJCUZCZSKADAB-ZLQRJZPTSA-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