General Information of the Compound
| Compound ID |
CP0578653
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| Compound Name |
CHEMBL5170398
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| Formula |
C27H32ClN5O2
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| Molecular Weight |
494.039
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| Canonical SMILES |
Cc1ccc2ccc(N[C@H]3CC[C@H](CNc4ccc(CC(=O)NC5COC5)cn4)CC3)nc2c1Cl
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| InChI |
InChI=1S/C27H32ClN5O2/c1-17-2-6-20-7-11-24(33-27(20)26(17)28)31-21-8-3-18(4-9-21)13-29-23-10-5-19(14-30-23)12-25(34)32-22-15-35-16-22/h2,5-7,10-11,14,18,21-22H,3-4,8-9,12-13,15-16H2,1H3,(H,29,30)(H,31,33)(H,32,34)/t18-,21-
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| InChIKey |
ZCQGRQQADNVBHG-XGAFWQRZSA-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