General Information of the Compound
| Compound ID |
CP0397948
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| Compound Name |
(E)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3-[4-[(E)-3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butylamino]-3-oxoprop-1-enyl]phenyl]prop-2-enamide
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| Structure |
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| Formula |
C42H56N6O4
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| Molecular Weight |
708.948
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| Canonical SMILES |
COc1ccccc1N1CCN(CCCCNC(=O)\C=C\c2ccc(\C=C\C(=O)NCCCCN3CCN(CC3)c3ccccc3OC)cc2)CC1
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| InChI |
InChI=1S/C42H56N6O4/c1-51-39-13-5-3-11-37(39)47-31-27-45(28-32-47)25-9-7-23-43-41(49)21-19-35-15-17-36(18-16-35)20-22-42(50)44-24-8-10-26-46-29-33-48(34-30-46)38-12-4-6-14-40(38)52-2/h3-6,11-22H,7-10,23-34H2,1-2H3,(H,43,49)(H,44,50)/b21-19+,22-20+
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| InChIKey |
ICGNIALTNZWGJF-FLFKKZLDSA-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: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor