General Information of the Compound
| Compound ID |
CP0918677
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| Compound Name |
(2Z)-2-{1-[2-Chloro-4-(1H-pyrazol-1-yl)benzoyl]-4,4-difluoro-1,2,3,4-tetrahydro-5H-1-benzazepin-5-ylidene}-N-(pyridin-2-ylmethyl)acetamide hydrochloride
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| Structure |
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| Formula |
C28H23Cl2F2N5O2
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| Molecular Weight |
570.427
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| Canonical SMILES |
Cl.O=C(/C=C1/c2ccccc2N(C(=O)c2ccc(-n3cccn3)cc2Cl)CCC1(F)F)NCc1ccccn1
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| InChI |
InChI=1S/C28H22ClF2N5O2.ClH/c29-24-16-20(36-14-5-13-34-36)9-10-22(24)27(38)35-15-11-28(30,31)23(21-7-1-2-8-25(21)35)17-26(37)33-18-19-6-3-4-12-32-19;/h1-10,12-14,16-17H,11,15,18H2,(H,33,37);1H/b23-17-;
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| InChIKey |
YUKUBXGMOKEZEA-AHKBEGBGSA-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