General Information of the Compound
| Compound ID |
CP0567601
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| Compound Name |
3-[4-[4-[4-[3-[1-(cyclopropylmethyl)piperidin-4-yl]propanoyl]phenyl]piperazin-1-yl]butyl]-1H-indole-5-carbonitrile
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| Structure |
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| Formula |
C35H45N5O
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| Molecular Weight |
551.779
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| Canonical SMILES |
O=C(CCC1CCN(CC2CC2)CC1)c1ccc(cc1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
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| InChI |
InChI=1S/C35H45N5O/c36-24-29-6-12-34-33(23-29)31(25-37-34)3-1-2-16-38-19-21-40(22-20-38)32-10-8-30(9-11-32)35(41)13-7-27-14-17-39(18-15-27)26-28-4-5-28/h6,8-12,23,25,27-28,37H,1-5,7,13-22,26H2
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| InChIKey |
MSYJNSRBXJSNHA-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