General Information of the Compound
| Compound ID |
CP0329331
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| Compound Name |
US9073853, 37
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| Formula |
C31H38ClN3O6
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| Molecular Weight |
584.113
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| Canonical SMILES |
COc1cc(CN(C[C@H]2CC[C@@H](CC2)C(O)=O)[C@@H](C)c2ccc(Cl)cc2)ccc1OCCn1c(=O)ccn(C)c1=O
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| InChI |
InChI=1S/C31H38ClN3O6/c1-21(24-9-11-26(32)12-10-24)34(19-22-4-7-25(8-5-22)30(37)38)20-23-6-13-27(28(18-23)40-3)41-17-16-35-29(36)14-15-33(2)31(35)39/h6,9-15,18,21-22,25H,4-5,7-8,16-17,19-20H2,1-3H3,(H,37,38)/t21-,22-,25-/m0/s1
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| InChIKey |
OITFMGVRVSIALP-HWBMXIPRSA-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