General Information of the Compound
| Compound ID |
CP0496307
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| Compound Name |
(2R,3S,6S,10S,11S)-5-acetyl-10-hydroxy-13-methoxy-6-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-11-phenyl-15,17-dioxa-5,8-diazapentacyclo[10.7.0.02,10.03,8.014,18]nonadeca-1(19),12,14(18)-trien-9-one
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| Structure |
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| Formula |
C33H32N2O9
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| Molecular Weight |
600.624
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| Canonical SMILES |
COc1cc(C[C@H]2CN3[C@H](CN2C(C)=O)[C@H]2c4cc5OCOc5c(OC)c4[C@H](c4ccccc4)[C@@]2(O)C3=O)cc2OCOc12
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| InChI |
InChI=1S/C33H32N2O9/c1-17(36)34-14-22-28-21-12-25-30(44-16-42-25)31(40-3)26(21)27(19-7-5-4-6-8-19)33(28,38)32(37)35(22)13-20(34)9-18-10-23(39-2)29-24(11-18)41-15-43-29/h4-8,10-12,20,22,27-28,38H,9,13-16H2,1-3H3/t20-,22+,27-,28+,33-/m0/s1
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| InChIKey |
DUAOTFLIFONCQN-QGZVPWQWSA-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