General Information of the Compound
| Compound ID |
CP0464095
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| Compound Name |
3,5-Dichloro-N-{(R)-3-(3,4-dichloro-phenyl)-2-[(Z)-methoxyimino]-5-[4-(3-morpholin-4-yl-2-oxo-tetrahydro-pyrimidin-1-yl)-piperidin-1-yl]-pentyl}-N-methyl-benzamide
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| Structure |
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| Formula |
C33H42Cl4N6O4
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| Molecular Weight |
728.549
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| Canonical SMILES |
CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCN(N2CCOCC2)C1=O)c1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C33H42Cl4N6O4/c1-39(32(44)24-18-25(34)21-26(35)19-24)22-31(38-46-2)28(23-4-5-29(36)30(37)20-23)8-13-40-11-6-27(7-12-40)42-9-3-10-43(33(42)45)41-14-16-47-17-15-41/h4-5,18-21,27-28H,3,6-17,22H2,1-2H3/b38-31+/t28-/m1/s1
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| InChIKey |
KSZGGGOZKNJLSY-RBUJZUCOSA-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: PT01199, Neuromedin-K receptor
Protein ID: PT01290, Substance-K receptor
Protein ID: PT01410, Substance-P receptor