General Information of the Compound
| Compound ID |
CP0322301
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| Compound Name |
N-[3-[[4-[4-(piperidine-1-carbonyl)anilino]-1,3,5-triazin-2-yl]amino]phenyl]prop-2-enamide
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| Formula |
C24H25N7O2
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| Molecular Weight |
443.511
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| Canonical SMILES |
C=CC(=O)Nc1cccc(Nc2ncnc(Nc3ccc(cc3)C(=O)N3CCCCC3)n2)c1
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| InChI |
InChI=1S/C24H25N7O2/c1-2-21(32)27-19-7-6-8-20(15-19)29-24-26-16-25-23(30-24)28-18-11-9-17(10-12-18)22(33)31-13-4-3-5-14-31/h2,6-12,15-16H,1,3-5,13-14H2,(H,27,32)(H2,25,26,28,29,30)
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| InChIKey |
PIDFACDPHSZEFT-UHFFFAOYSA-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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| ChEMBL ID | |||||||||||||||||||
Table of Molecular Bioactivities Related to the Compound