General Information of the Compound
| Compound ID |
CP0404565
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| Compound Name |
CHEMBL4060401
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| Formula |
C31H42N6O2
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| Molecular Weight |
530.717
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| Canonical SMILES |
COc1cccc(c1)-c1ccc2nc(NC(C)C)nc(N[C@H]3CC[C@@H](CC3)NC(=O)C3CCCN(C)C3)c2c1
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| InChI |
InChI=1S/C31H42N6O2/c1-20(2)32-31-35-28-15-10-22(21-7-5-9-26(17-21)39-4)18-27(28)29(36-31)33-24-11-13-25(14-12-24)34-30(38)23-8-6-16-37(3)19-23/h5,7,9-10,15,17-18,20,23-25H,6,8,11-14,16,19H2,1-4H3,(H,34,38)(H2,32,33,35,36)/t23?,24-,25-
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| InChIKey |
YRVRESGEKGDZKO-FBQBJMIQSA-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