General Information of the Compound
| Compound ID |
CP0430267
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| Compound Name |
1'N-[1-benzyl(methyl)carbamoyl-2-(1H-3-indolyl)-(1S)-ethyl]-1-methylsulfanylspiro[2,3-dihydro-1H-indole-3,4'-(hexahydropyridine)]-1'-carboxamide
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| Structure |
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| Formula |
C33H37N5O2S
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| Molecular Weight |
567.759
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| Canonical SMILES |
CSN1CC2(CCN(CC2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N(C)Cc2ccccc2)c2ccccc12
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| InChI |
InChI=1S/C33H37N5O2S/c1-36(22-24-10-4-3-5-11-24)31(39)29(20-25-21-34-28-14-8-6-12-26(25)28)35-32(40)37-18-16-33(17-19-37)23-38(41-2)30-15-9-7-13-27(30)33/h3-15,21,29,34H,16-20,22-23H2,1-2H3,(H,35,40)/t29-/m0/s1
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| InChIKey |
ZVBLMUFWEBYUFD-LJAQVGFWSA-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: PT01290, Substance-K receptor
Protein ID: PT01410, Substance-P receptor