General Information of the Compound
| Compound ID |
CP0572443
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| Compound Name |
CHEMBL4866116
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| Formula |
C41H51ClN6O7S
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| Molecular Weight |
807.414
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| Canonical SMILES |
CN[C@H]1CC[C@@H](CC1)N(Cc1cccc(c1)-c1ccnc(OCCOCCOCCOCCn2cc(COCCO)nn2)c1)C(=O)c1sc2ccccc2c1Cl
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| InChI |
InChI=1S/C41H51ClN6O7S/c1-43-33-9-11-35(12-10-33)48(41(50)40-39(42)36-7-2-3-8-37(36)56-40)27-30-5-4-6-31(25-30)32-13-14-44-38(26-32)55-24-23-53-22-21-52-20-19-51-17-15-47-28-34(45-46-47)29-54-18-16-49/h2-8,13-14,25-26,28,33,35,43,49H,9-12,15-24,27,29H2,1H3/t33-,35-
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| InChIKey |
PBHDGBNNKAXOEF-XGUXPKHRSA-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