General Information of the Compound
| Compound ID |
CP0871615
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| Compound Name |
N-((1S,4r)-4-(2-((2S,5S)-2-(6-aminopyridin-3-yl)-5-methylmorpholino)ethyl)cyclohexyl)-1H-indole-2-carboxamide
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| Formula |
C27H35N5O2
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| Molecular Weight |
461.61
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| Canonical SMILES |
C[C@H]1CO[C@@H](c2ccc(N)nc2)CN1CC[C@H]1CC[C@H](NC(=O)c2cc3ccccc3[nH]2)CC1
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| InChI |
InChI=1S/C27H35N5O2/c1-18-17-34-25(21-8-11-26(28)29-15-21)16-32(18)13-12-19-6-9-22(10-7-19)30-27(33)24-14-20-4-2-3-5-23(20)31-24/h2-5,8,11,14-15,18-19,22,25,31H,6-7,9-10,12-13,16-17H2,1H3,(H2,28,29)(H,30,33)/t18-,19-,22-,25+/m0/s1
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| InChIKey |
ADDKZOUNFAZVBP-DZNWXHPMSA-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: PT01195, D(1A) dopamine receptor
Protein ID: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor
Protein ID: PT01515, Mu-type opioid receptor