General Information of the Compound
| Compound ID |
CP0572229
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| Compound Name |
CHEMBL5204916
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| Formula |
C27H30ClN7O2
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| Molecular Weight |
520.037
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| Canonical SMILES |
Cc1ccc2ccc(N[C@H]3CC[C@H](CNc4ncc(cn4)C(C#N)C(=O)NC4COC4)CC3)nc2c1Cl
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| InChI |
InChI=1S/C27H30ClN7O2/c1-16-2-5-18-6-9-23(35-25(18)24(16)28)33-20-7-3-17(4-8-20)11-30-27-31-12-19(13-32-27)22(10-29)26(36)34-21-14-37-15-21/h2,5-6,9,12-13,17,20-22H,3-4,7-8,11,14-15H2,1H3,(H,33,35)(H,34,36)(H,30,31,32)/t17-,20-,22?
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| InChIKey |
NJUIOXKEPURYIM-FCDKUWBWSA-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