General Information of the Compound
| Compound ID |
CP0554960
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| Compound Name |
(11S,12R,13S,14S)-13-cyclopentyl-8,15,15-trimethyl-12-(3,4,5-trimethoxyphenyl)-8-azatetracyclo[8.6.0.02,7.011,14]hexadeca-1(10),2,4,6-tetraen-9-one
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| Structure |
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| Formula |
C32H39NO4
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| Molecular Weight |
501.667
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| Canonical SMILES |
COc1cc(cc(OC)c1OC)[C@@H]1[C@H]([C@H]2[C@@H]1c1c(CC2(C)C)c2ccccc2n(C)c1=O)C1CCCC1
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| InChI |
InChI=1S/C32H39NO4/c1-32(2)17-21-20-13-9-10-14-22(20)33(3)31(34)27(21)28-25(26(29(28)32)18-11-7-8-12-18)19-15-23(35-4)30(37-6)24(16-19)36-5/h9-10,13-16,18,25-26,28-29H,7-8,11-12,17H2,1-6H3/t25-,26-,28+,29+/m1/s1
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| InChIKey |
PABMOMJPSXYQDZ-KFADFNFCSA-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