General Information of the Compound
| Compound ID |
CP0513409
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| Compound Name |
US8901315, 171
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| Formula |
C26H39N5O2S
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| Molecular Weight |
485.698
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| Canonical SMILES |
CC(=O)N1CCCN(CC1)[C@H]1CC[C@@H](CC1)NC(=O)c1cc2c(C)nn(C3CCCCC3)c2s1
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| InChI |
InChI=1S/C26H39N5O2S/c1-18-23-17-24(34-26(23)31(28-18)22-7-4-3-5-8-22)25(33)27-20-9-11-21(12-10-20)30-14-6-13-29(15-16-30)19(2)32/h17,20-22H,3-16H2,1-2H3,(H,27,33)/t20-,21-
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| InChIKey |
NIFVHHHZBHSBQS-MEMLXQNLSA-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