General Information of the Compound
| Compound ID |
CP0468073
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| Compound Name |
US8901315, 180
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| Formula |
C27H41N5O2S
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| Molecular Weight |
499.725
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| Canonical SMILES |
CN(C1CCN(CC1)[C@H]1CC[C@@H](CC1)NC(=O)c1cc2c(C)nn(C3CCCCC3)c2s1)C(C)=O
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| InChI |
InChI=1S/C27H41N5O2S/c1-18-24-17-25(35-27(24)32(29-18)23-7-5-4-6-8-23)26(34)28-20-9-11-22(12-10-20)31-15-13-21(14-16-31)30(3)19(2)33/h17,20-23H,4-16H2,1-3H3,(H,28,34)/t20-,22-
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| InChIKey |
NQMTWDIEHWQFTO-AQYVVDRMSA-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