General Information of the Compound
| Compound ID |
CP0226371
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| Compound Name |
US9073853, 30
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| Formula |
C31H37ClN2O5
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| Molecular Weight |
553.099
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| Canonical SMILES |
Cc1cc(CN(C[C@H]2CC[C@@H](CC2)C(O)=O)[C@H]2CCc3cc(Cl)ccc23)ccc1OCCN1C(=O)CCC1=O
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| InChI |
InChI=1S/C31H37ClN2O5/c1-20-16-22(4-11-28(20)39-15-14-34-29(35)12-13-30(34)36)19-33(18-21-2-5-23(6-3-21)31(37)38)27-10-7-24-17-25(32)8-9-26(24)27/h4,8-9,11,16-17,21,23,27H,2-3,5-7,10,12-15,18-19H2,1H3,(H,37,38)/t21-,23-,27-/m0/s1
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| InChIKey |
FDASGQXFJFJJMH-MYIHVTGJSA-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