General Information of the Compound
| Compound ID |
CP0557530
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| Compound Name |
US8969358, 120
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| Structure |
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| Formula |
C32H45N3O5
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| Molecular Weight |
551.728
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| Canonical SMILES |
CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)[C@H](CC(C)C)NC(C)=O)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45
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| InChI |
InChI=1S/C32H45N3O5/c1-18(2)13-23(34-19(3)36)28(38)33-16-22-15-30-9-10-32(22,39-4)29-31(30)11-12-35(17-20-5-6-20)25(30)14-21-7-8-24(37)27(40-29)26(21)31/h7-8,18,20,22-23,25,29,37H,5-6,9-17H2,1-4H3,(H,33,38)(H,34,36)/t22-,23+,25-,29-,30-,31+,32-/m1/s1
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| InChIKey |
PJVHFMFQJRUDTA-WBCNMZPOSA-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