General Information of the Compound
| Compound ID |
CP0524414
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| Compound Name |
US8969358, 110
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| Structure |
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| Formula |
C29H39N3O5
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| Molecular Weight |
509.647
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| Canonical SMILES |
CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)[C@H](C)NC(C)=O)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45
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| InChI |
InChI=1S/C29H39N3O5/c1-16(31-17(2)33)25(35)30-14-20-13-27-8-9-29(20,36-3)26-28(27)10-11-32(15-18-4-5-18)22(27)12-19-6-7-21(34)24(37-26)23(19)28/h6-7,16,18,20,22,26,34H,4-5,8-15H2,1-3H3,(H,30,35)(H,31,33)/t16-,20+,22+,26+,27+,28-,29+/m0/s1
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| InChIKey |
CABNQMWYRFELDG-DQIQTVGXSA-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