General Information of the Compound
| Compound ID |
CP0576307
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| Compound Name |
3-[4-[4-[4-[3-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]propanoyl]phenyl]piperazin-1-yl]butyl]-1H-indole-5-carbonitrile
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| Structure |
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| Formula |
C42H47N5O
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| Molecular Weight |
637.872
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| Canonical SMILES |
O=C(CCC1CCN(Cc2ccc3ccccc3c2)CC1)c1ccc(cc1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
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| InChI |
InChI=1S/C42H47N5O/c43-29-33-9-16-41-40(28-33)38(30-44-41)7-3-4-20-45-23-25-47(26-24-45)39-14-12-36(13-15-39)42(48)17-10-32-18-21-46(22-19-32)31-34-8-11-35-5-1-2-6-37(35)27-34/h1-2,5-6,8-9,11-16,27-28,30,32,44H,3-4,7,10,17-26,31H2
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| InChIKey |
DGWWOVZBLCSCQY-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