General Information of the Compound
| Compound ID |
CP0468824
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| Compound Name |
1-[3-[[4-[(3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]pyrrolidin-1-yl]benzoyl]amino]propyl]piperidine-4-carboxylic acid
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| Structure |
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| Formula |
C32H40N4O3
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| Molecular Weight |
528.697
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| Canonical SMILES |
C[C@@H](N[C@H]1CCN(C1)c1ccc(cc1)C(=O)NCCCN1CCC(CC1)C(O)=O)c1cccc2ccccc12
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| InChI |
InChI=1S/C32H40N4O3/c1-23(29-9-4-7-24-6-2-3-8-30(24)29)34-27-16-21-36(22-27)28-12-10-25(11-13-28)31(37)33-17-5-18-35-19-14-26(15-20-35)32(38)39/h2-4,6-13,23,26-27,34H,5,14-22H2,1H3,(H,33,37)(H,38,39)/t23-,27+/m1/s1
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| InChIKey |
HBTVUVNVTSSIHP-KCWPFWIISA-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: PT07476, Extracellular calcium-sensing receptor
Protein ID: PT06044, Extracellular calcium-sensing receptor