General Information of the Compound
| Compound ID |
CP0459718
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| Compound Name |
4-(1-(benzo[d][1,3]dioxol-5-ylmethyl)piperidin-4-ylamino)-6-chloro-1-pentylquinazolin-2(1H)-one
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| Structure |
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| Formula |
C26H31ClN4O3
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| Molecular Weight |
483.012
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| Canonical SMILES |
CCCCCn1c2ccc(Cl)cc2c(NC2CCN(Cc3ccc4OCOc4c3)CC2)nc1=O
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| InChI |
InChI=1S/C26H31ClN4O3/c1-2-3-4-11-31-22-7-6-19(27)15-21(22)25(29-26(31)32)28-20-9-12-30(13-10-20)16-18-5-8-23-24(14-18)34-17-33-23/h5-8,14-15,20H,2-4,9-13,16-17H2,1H3,(H,28,29,32)
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| InChIKey |
VMFNUQHBZCMQRZ-UHFFFAOYSA-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: PT01027, Melanin-concentrating hormone receptor 1
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2