General Information of the Compound
| Compound ID |
CP0850017
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| Compound Name |
(2Z)-2-[1-(2-Chloro-4-piperidin-1-ylbenzoyl)-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 |
C30H30Cl2F2N4O2
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| Molecular Weight |
587.498
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| Canonical SMILES |
Cl.O=C(/C=C1/c2ccccc2N(C(=O)c2ccc(N3CCCCC3)cc2Cl)CCC1(F)F)NCc1ccccn1
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| InChI |
InChI=1S/C30H29ClF2N4O2.ClH/c31-26-18-22(36-15-6-1-7-16-36)11-12-24(26)29(39)37-17-13-30(32,33)25(23-9-2-3-10-27(23)37)19-28(38)35-20-21-8-4-5-14-34-21;/h2-5,8-12,14,18-19H,1,6-7,13,15-17,20H2,(H,35,38);1H/b25-19-;
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| InChIKey |
CSYRMSZBPMQKFS-VQFXXQHUSA-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