General Information of the Compound
| Compound ID |
CP0563776
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| Compound Name |
CHEMBL3613353
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| Formula |
C33H33ClN2O5
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| Molecular Weight |
573.089
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| Canonical SMILES |
OC(=O)[C@@]12CC3CC(C1)[C@H](Oc1ccc(cc1)C(=O)NCCNC(=O)c1ccc(cc1)-c1ccccc1Cl)C(C3)C2
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| InChI |
InChI=1S/C33H33ClN2O5/c34-28-4-2-1-3-27(28)21-5-7-22(8-6-21)30(37)35-13-14-36-31(38)23-9-11-26(12-10-23)41-29-24-15-20-16-25(29)19-33(17-20,18-24)32(39)40/h1-12,20,24-25,29H,13-19H2,(H,35,37)(H,36,38)(H,39,40)/t20?,24?,25?,29-,33-
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| InChIKey |
TYNCVQGCKGQBJF-OWZKXTJZSA-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