General Information of the Compound
| Compound ID |
CP0904561
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| Compound Name |
(R)-3-(1-(cyclopenta-1,3-dienyl)cycloheptanecarbonyloxy)-1-(2-oxo-2-(2-(pyrazine-2-carboxamido)ethylamino)ethyl)-1-azoniabicyclo[2.2.2]octane
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| Structure |
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| Formula |
C29H40N5O4+
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| Molecular Weight |
522.67
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| Canonical SMILES |
O=C(C[N+]12CCC(CC1)[C@@H](OC(=O)C1(C3=CC=CC3)CCCCCC1)C2)NCCNC(=O)c1cnccn1
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| InChI |
InChI=1S/C29H39N5O4/c35-26(32-15-16-33-27(36)24-19-30-13-14-31-24)21-34-17-9-22(10-18-34)25(20-34)38-28(37)29(23-7-3-4-8-23)11-5-1-2-6-12-29/h3-4,7,13-14,19,22,25H,1-2,5-6,8-12,15-18,20-21H2,(H-,32,33,35,36)/p+1/t22?,25-,34?/m0/s1
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| InChIKey |
QNSUTEZULRGESR-HSQDXKERSA-O
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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