General Information of the Compound
| Compound ID |
CP0399863
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| Compound Name |
US8969358, 117
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| Structure |
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| Formula |
C28H37N3O5
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| Molecular Weight |
495.62
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| Canonical SMILES |
CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)CNC(C)=O)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45
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| InChI |
InChI=1S/C28H37N3O5/c1-16(32)29-14-22(34)30-13-19-12-26-7-8-28(19,35-2)25-27(26)9-10-31(15-17-3-4-17)21(26)11-18-5-6-20(33)24(36-25)23(18)27/h5-6,17,19,21,25,33H,3-4,7-15H2,1-2H3,(H,29,32)(H,30,34)/t19-,21-,25-,26-,27+,28-/m1/s1
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| InChIKey |
ZPSYUWNXHKESJR-VTNDKHKTSA-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