General Information of the Compound
| Compound ID |
CP0437417
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| Compound Name |
9-chloro-2,5,5-trimethyl-7-[4-[2-(oxan-4-ylamino)ethylamino]phenyl]pyrido[2,3-d][1]benzazepin-6-one
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| Structure |
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| Formula |
C29H33ClN4O2
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| Molecular Weight |
505.062
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| Canonical SMILES |
Cc1cnc2c(c1)-c1ccc(Cl)cc1N(c1ccc(NCCNC3CCOCC3)cc1)C(=O)C2(C)C
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| InChI |
InChI=1S/C29H33ClN4O2/c1-19-16-25-24-9-4-20(30)17-26(24)34(28(35)29(2,3)27(25)33-18-19)23-7-5-21(6-8-23)31-12-13-32-22-10-14-36-15-11-22/h4-9,16-18,22,31-32H,10-15H2,1-3H3
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| InChIKey |
BMTLFAAUMAGIHF-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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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