General Information of the Compound
| Compound ID |
CP0412757
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| Compound Name |
[5-[(11R,12R,13R,14S)-15,15-dimethyl-9-oxo-13-propan-2-yl-16-oxa-8-azatetracyclo[8.6.0.02,7.011,14]hexadeca-1(10),2,4,6-tetraen-12-yl]-2-methoxyphenyl] hydrogen carbonate
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| Structure |
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| Formula |
C27H29NO6
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| Molecular Weight |
463.53
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| Canonical SMILES |
COc1ccc(cc1OC(O)=O)[C@@H]1[C@@H](C(C)C)[C@H]2[C@@H]1c1c(OC2(C)C)c2ccccc2[nH]c1=O
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| InChI |
InChI=1S/C27H29NO6/c1-13(2)19-20(14-10-11-17(32-5)18(12-14)33-26(30)31)21-22-24(34-27(3,4)23(19)21)15-8-6-7-9-16(15)28-25(22)29/h6-13,19-21,23H,1-5H3,(H,28,29)(H,30,31)/t19-,20-,21+,23+/m1/s1
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| InChIKey |
ZNRHSOHKZAJJPS-JFYQVNSESA-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