General Information of the Compound
| Compound ID |
CP0378321
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| Compound Name |
2-[3-(1-benzyl-8-chloro-2,5-dioxo-3,4-dihydro-1,4-benzodiazepin-3-yl)propyl]guanidine
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| Structure |
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| Formula |
C20H22ClN5O2
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| Molecular Weight |
399.882
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| Canonical SMILES |
NC(N)=NCCCC1NC(=O)c2ccc(Cl)cc2N(Cc2ccccc2)C1=O
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| InChI |
InChI=1S/C20H22ClN5O2/c21-14-8-9-15-17(11-14)26(12-13-5-2-1-3-6-13)19(28)16(25-18(15)27)7-4-10-24-20(22)23/h1-3,5-6,8-9,11,16H,4,7,10,12H2,(H,25,27)(H4,22,23,24)
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| InChIKey |
CWVXKDNUHVPLLR-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
Protein ID: PT02450, Melanocortin receptor 3
Protein ID: PT01528, Melanocortin receptor 5
Protein ID: PT01440, Melanocyte-stimulating hormone receptor