General Information of the Compound
| Compound ID |
CP0881123
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| Compound Name |
SID87336743
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| Structure |
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| Formula |
C33H43ClN4O4
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| Molecular Weight |
595.184
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| Canonical SMILES |
CC(C)=CCC/C(C)=C/CNC(=O)C[C@H]1C[C@H](C(=O)N2CCOCC2)[C@@]2(C)c3[nH]c4ccc(Cl)cc4c3CCN2C1=O
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| InChI |
InChI=1S/C33H43ClN4O4/c1-21(2)6-5-7-22(3)10-12-35-29(39)19-23-18-27(32(41)37-14-16-42-17-15-37)33(4)30-25(11-13-38(33)31(23)40)26-20-24(34)8-9-28(26)36-30/h6,8-10,20,23,27,36H,5,7,11-19H2,1-4H3,(H,35,39)/b22-10+/t23-,27-,33+/m1/s1
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| InChIKey |
NZRSULJKQBLWTB-UVSMJKFQSA-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