General Information of the Compound
| Compound ID |
CP0170846
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| Compound Name |
US9073853, 45
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| Formula |
C32H39ClN2O5
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| Molecular Weight |
567.126
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| Canonical SMILES |
COc1cc(CN(C[C@H]2CC[C@@H](CC2)C(O)=O)[C@H]2CCc3cc(Cl)ccc23)ccc1CCCN1C(=O)CCC1=O
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| InChI |
InChI=1S/C32H39ClN2O5/c1-40-29-17-22(6-7-23(29)3-2-16-35-30(36)14-15-31(35)37)20-34(19-21-4-8-24(9-5-21)32(38)39)28-13-10-25-18-26(33)11-12-27(25)28/h6-7,11-12,17-18,21,24,28H,2-5,8-10,13-16,19-20H2,1H3,(H,38,39)/t21-,24-,28-/m0/s1
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| InChIKey |
PHYKEKFBKMAHAX-VSPOGIRPSA-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