General Information of the Compound
| Compound ID |
CP0565369
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| Compound Name |
CHEMBL3237926
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| Formula |
C31H37Cl2N7O2
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| Molecular Weight |
610.59
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| Canonical SMILES |
CC(C)[C@@H](N1C(=O)C(=N[C@@]11CC[C@@H](CC1)C(C)(C)C)c1cc(Cl)cc(Cl)c1)c1ccc(cc1)C(=O)NCc1nn[nH]n1
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| InChI |
InChI=1S/C31H37Cl2N7O2/c1-18(2)27(19-6-8-20(9-7-19)28(41)34-17-25-36-38-39-37-25)40-29(42)26(21-14-23(32)16-24(33)15-21)35-31(40)12-10-22(11-13-31)30(3,4)5/h6-9,14-16,18,22,27H,10-13,17H2,1-5H3,(H,34,41)(H,36,37,38,39)/t22-,27-,31-/m1/s1
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| InChIKey |
WXHNDUQKMPKVNA-ZSADTWRWSA-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