General Information of the Compound
| Compound ID |
CP0883152
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| Compound Name |
SID131456882
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| Structure |
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| Formula |
C25H28Cl3N3O5
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| Molecular Weight |
556.874
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| Canonical SMILES |
O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)Nc2ccc(Cl)c(Cl)c2)O1)NCc1ccc(Cl)cc1
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| InChI |
InChI=1S/C25H28Cl3N3O5/c26-16-3-1-15(2-4-16)11-29-24(33)10-19-6-8-22-23(36-19)14-35-13-18(32)12-31(22)25(34)30-17-5-7-20(27)21(28)9-17/h1-5,7,9,18-19,22-23,32H,6,8,10-14H2,(H,29,33)(H,30,34)/t18-,19-,22+,23-/m0/s1
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| InChIKey |
WWYPFRDKAZKVBM-LBVMUVSTSA-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