General Information of the Compound
| Compound ID |
CP0014498
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| Compound Name |
CHEMBL4214362
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| Formula |
C23H32ClN7
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| Molecular Weight |
442.011
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| Canonical SMILES |
CCCCCCn1cnc2c(Nc3ccc(Cl)cc3)nc(N[C@H]3CC[C@H](N)CC3)nc12
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| InChI |
InChI=1S/C23H32ClN7/c1-2-3-4-5-14-31-15-26-20-21(27-18-10-6-16(24)7-11-18)29-23(30-22(20)31)28-19-12-8-17(25)9-13-19/h6-7,10-11,15,17,19H,2-5,8-9,12-14,25H2,1H3,(H2,27,28,29,30)/t17-,19-
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| InChIKey |
QYMYVDVIXGVLGX-UAPYVXQJSA-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