General Information of the Compound
| Compound ID |
CP0934880
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| Compound Name |
SID87540528
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| Structure |
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| Formula |
C32H35Cl2F3N4O4
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| Molecular Weight |
667.556
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| Canonical SMILES |
C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2CC1=O
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| InChI |
InChI=1S/C32H35Cl2F3N4O4/c1-19-15-41(20(2)18-42)30(43)14-22-13-25(39-31(44)38-24-7-5-23(6-8-24)32(35,36)37)9-11-28(22)45-29(19)17-40(3)16-21-4-10-26(33)27(34)12-21/h4-13,19-20,29,42H,14-18H2,1-3H3,(H2,38,39,44)/t19-,20+,29+/m0/s1
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| InChIKey |
RIKKTKCVINKHQI-HQLBTAIYSA-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