General Information of the Compound
| Compound ID |
CP0873910
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| Compound Name |
(S)-3-(1H-Indazol-3-ylmethylene)-1-[2-oxoethyl-2-(2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)]-5-phenyl-1H-1,5-diazepine-2,4-dione
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| Structure |
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| Formula |
C31H29N5O3
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| Molecular Weight |
519.605
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| Canonical SMILES |
O=C1[C@H](Cc2n[nH]c3ccccc23)C(=O)N(c2ccccc2)C=CN1CC(=O)N1CCCCc2ccccc21
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| InChI |
InChI=1S/C31H29N5O3/c37-29(36-17-9-8-11-22-10-4-7-16-28(22)36)21-34-18-19-35(23-12-2-1-3-13-23)31(39)25(30(34)38)20-27-24-14-5-6-15-26(24)32-33-27/h1-7,10,12-16,18-19,25H,8-9,11,17,20-21H2,(H,32,33)/t25-/m0/s1
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| InChIKey |
JEWNLXJTOYXCLJ-VWLOTQADSA-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
Protein ID: PT00914, Melanocortin receptor 4
Protein ID: PT00911, Melanocyte-stimulating hormone receptor