General Information of the Compound
| Compound ID |
CP0438966
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| Compound Name |
(3R,5S)-N-[(2R)-1-[4-(tert-butylcarbamoyl)-4-cyclohexylpiperidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-3,4,5-trimethylpiperazine-1-carboxamide
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| Structure |
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| Formula |
C33H52FN5O3
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| Molecular Weight |
585.809
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| Canonical SMILES |
C[C@H]1CN(C[C@@H](C)N1C)C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N1CCC(CC1)(C1CCCCC1)C(=O)NC(C)(C)C
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| InChI |
InChI=1S/C33H52FN5O3/c1-23-21-39(22-24(2)37(23)6)31(42)35-28(20-25-12-14-27(34)15-13-25)29(40)38-18-16-33(17-19-38,26-10-8-7-9-11-26)30(41)36-32(3,4)5/h12-15,23-24,26,28H,7-11,16-22H2,1-6H3,(H,35,42)(H,36,41)/t23-,24+,28-/m1/s1
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| InChIKey |
JMZSDACYKDRROH-FMGHJNRGSA-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: PT01325, Melanocortin receptor 3
Protein ID: PT00914, Melanocortin receptor 4
Protein ID: PT01804, Melanocortin receptor 5
Protein ID: PT00911, Melanocyte-stimulating hormone receptor