General Information of the Compound
| Compound ID |
CP0897879
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| Compound Name |
US8969358, 116
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| Structure |
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| Formula |
C32H41N5O5
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| Molecular Weight |
575.71
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| Canonical SMILES |
CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5
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| InChI |
InChI=1S/C32H41N5O5/c1-18(38)36-23(12-22-15-33-17-35-22)28(40)34-14-21-13-30-7-8-32(21,41-2)29-31(30)9-10-37(16-19-3-4-19)25(30)11-20-5-6-24(39)27(42-29)26(20)31/h5-6,15,17,19,21,23,25,29,39H,3-4,7-14,16H2,1-2H3,(H,33,35)(H,34,40)(H,36,38)/t21-,23+,25-,29-,30-,31+,32-/m1/s1
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| InChIKey |
DJAYBEDVSUFFSP-QPMNZMNPSA-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